USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 888 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 29 SER OG : rot 180:sc= -0.0697 USER MOD Single : A 30 ASN : amide:sc= -0.0123 K(o=-0.012,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ 153:sc= -0.074 (180deg=-0.433) USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= 1.16 (180deg=0.778) USER MOD Single : A 40 LYS NZ :NH3+ 144:sc= 1.22 (180deg=0.146) USER MOD Single : A 41 MET CE :methyl -163:sc= -0.718 (180deg=-1.13) USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= -0.0631 (180deg=-0.387) USER MOD Single : A 46 ASN :FLIP amide:sc=-0.00415 F(o=-0.92,f=-0.0041) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -140:sc= 0.633 USER MOD Single : A 54 THR OG1 : rot 41:sc= 0.0152 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0798) USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= -0.0379 (180deg=-0.254) USER MOD Single : A 65 SER OG : rot 70:sc= 1.12 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 168:sc= -0.0114 (180deg=-0.174) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 166:sc= -0.197 (180deg=-0.379) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= -0.0764 (180deg=-0.461) USER MOD Single : A 92 LYS NZ :NH3+ 168:sc= 0.954 (180deg=0.851) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -176:sc= 0.985 (180deg=0.846) USER MOD Single : A 97 ASN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -167:sc= 1.21 (180deg=1.1) USER MOD Single : A 106 THR OG1 : rot 150:sc= -1.51! USER MOD Single : A 107 SER OG : rot -172:sc= 0.739 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot -83:sc= -0.0137 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -3.482 13.141 -3.900 1.00 1.16 N ATOM 2 CA GLY A 22 -4.192 12.092 -3.131 1.00 1.05 C ATOM 3 C GLY A 22 -3.590 10.718 -3.338 1.00 0.87 C ATOM 4 O GLY A 22 -3.804 10.089 -4.378 1.00 0.89 O ATOM 0 HA2 GLY A 22 -4.165 12.342 -2.070 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -5.241 12.075 -3.428 1.00 1.05 H new ATOM 7 N LEU A 23 -2.851 10.241 -2.344 1.00 0.75 N ATOM 8 CA LEU A 23 -2.201 8.940 -2.420 1.00 0.62 C ATOM 9 C LEU A 23 -2.446 8.133 -1.152 1.00 0.51 C ATOM 10 O LEU A 23 -2.025 8.525 -0.063 1.00 0.59 O ATOM 11 CB LEU A 23 -0.694 9.104 -2.627 1.00 0.75 C ATOM 12 CG LEU A 23 -0.269 9.712 -3.964 1.00 1.22 C ATOM 13 CD1 LEU A 23 1.229 9.960 -3.978 1.00 1.78 C ATOM 14 CD2 LEU A 23 -0.668 8.801 -5.113 1.00 1.91 C ATOM 0 H LEU A 23 -2.687 10.740 -1.470 1.00 0.75 H new ATOM 0 HA LEU A 23 -2.629 8.407 -3.269 1.00 0.62 H new ATOM 0 HB2 LEU A 23 -0.302 9.728 -1.824 1.00 0.75 H new ATOM 0 HB3 LEU A 23 -0.224 8.125 -2.528 1.00 0.75 H new ATOM 0 HG LEU A 23 -0.780 10.667 -4.089 1.00 1.22 H new ATOM 0 HD11 LEU A 23 1.517 10.393 -4.936 1.00 1.78 H new ATOM 0 HD12 LEU A 23 1.491 10.649 -3.175 1.00 1.78 H new ATOM 0 HD13 LEU A 23 1.755 9.017 -3.833 1.00 1.78 H new ATOM 0 HD21 LEU A 23 -0.358 9.249 -6.057 1.00 1.91 H new ATOM 0 HD22 LEU A 23 -0.183 7.832 -4.994 1.00 1.91 H new ATOM 0 HD23 LEU A 23 -1.750 8.668 -5.113 1.00 1.91 H new ATOM 26 N LEU A 24 -3.135 7.013 -1.299 1.00 0.40 N ATOM 27 CA LEU A 24 -3.324 6.087 -0.198 1.00 0.39 C ATOM 28 C LEU A 24 -2.466 4.857 -0.444 1.00 0.38 C ATOM 29 O LEU A 24 -2.786 4.025 -1.294 1.00 0.50 O ATOM 30 CB LEU A 24 -4.799 5.691 -0.055 1.00 0.44 C ATOM 31 CG LEU A 24 -5.138 4.844 1.178 1.00 0.50 C ATOM 32 CD1 LEU A 24 -4.894 5.627 2.458 1.00 1.02 C ATOM 33 CD2 LEU A 24 -6.579 4.368 1.117 1.00 1.24 C ATOM 0 H LEU A 24 -3.573 6.724 -2.173 1.00 0.40 H new ATOM 0 HA LEU A 24 -3.024 6.570 0.732 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -5.400 6.600 -0.027 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -5.097 5.139 -0.947 1.00 0.44 H new ATOM 0 HG LEU A 24 -4.483 3.973 1.180 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -5.142 5.005 3.318 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -3.845 5.919 2.512 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -5.520 6.519 2.464 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -6.802 3.769 2.000 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -7.246 5.230 1.086 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -6.725 3.764 0.222 1.00 1.24 H new ATOM 45 N VAL A 25 -1.364 4.761 0.276 1.00 0.37 N ATOM 46 CA VAL A 25 -0.400 3.698 0.056 1.00 0.40 C ATOM 47 C VAL A 25 -0.464 2.685 1.191 1.00 0.42 C ATOM 48 O VAL A 25 -0.694 3.044 2.339 1.00 0.56 O ATOM 49 CB VAL A 25 1.038 4.261 -0.060 1.00 0.49 C ATOM 50 CG1 VAL A 25 2.026 3.169 -0.449 1.00 0.95 C ATOM 51 CG2 VAL A 25 1.088 5.410 -1.058 1.00 0.84 C ATOM 0 H VAL A 25 -1.113 5.410 1.022 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.654 3.206 -0.883 1.00 0.40 H new ATOM 0 HB VAL A 25 1.327 4.643 0.919 1.00 0.49 H new ATOM 0 HG11 VAL A 25 3.027 3.594 -0.523 1.00 0.95 H new ATOM 0 HG12 VAL A 25 2.019 2.385 0.309 1.00 0.95 H new ATOM 0 HG13 VAL A 25 1.740 2.745 -1.412 1.00 0.95 H new ATOM 0 HG21 VAL A 25 2.107 5.791 -1.124 1.00 0.84 H new ATOM 0 HG22 VAL A 25 0.769 5.055 -2.038 1.00 0.84 H new ATOM 0 HG23 VAL A 25 0.423 6.208 -0.727 1.00 0.84 H new ATOM 61 N LEU A 26 -0.285 1.420 0.869 1.00 0.46 N ATOM 62 CA LEU A 26 -0.270 0.378 1.881 1.00 0.57 C ATOM 63 C LEU A 26 0.598 -0.782 1.421 1.00 0.51 C ATOM 64 O LEU A 26 0.643 -1.107 0.234 1.00 0.58 O ATOM 65 CB LEU A 26 -1.696 -0.103 2.192 1.00 0.75 C ATOM 66 CG LEU A 26 -2.537 -0.438 0.960 1.00 0.74 C ATOM 67 CD1 LEU A 26 -3.262 -1.769 1.125 1.00 1.17 C ATOM 68 CD2 LEU A 26 -3.537 0.676 0.689 1.00 1.00 C ATOM 0 H LEU A 26 -0.148 1.086 -0.085 1.00 0.46 H new ATOM 0 HA LEU A 26 0.152 0.791 2.797 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -1.637 -0.987 2.827 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -2.208 0.668 2.767 1.00 0.75 H new ATOM 0 HG LEU A 26 -1.863 -0.529 0.108 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -3.850 -1.976 0.231 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -2.532 -2.565 1.272 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -3.923 -1.719 1.991 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -4.130 0.426 -0.191 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -4.195 0.791 1.550 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -3.003 1.610 0.513 1.00 1.00 H new ATOM 80 N ILE A 27 1.293 -1.394 2.363 1.00 0.50 N ATOM 81 CA ILE A 27 2.239 -2.449 2.049 1.00 0.49 C ATOM 82 C ILE A 27 1.953 -3.693 2.869 1.00 0.51 C ATOM 83 O ILE A 27 1.807 -3.620 4.090 1.00 0.72 O ATOM 84 CB ILE A 27 3.693 -2.004 2.337 1.00 0.59 C ATOM 85 CG1 ILE A 27 4.050 -0.771 1.511 1.00 0.87 C ATOM 86 CG2 ILE A 27 4.679 -3.134 2.056 1.00 1.00 C ATOM 87 CD1 ILE A 27 5.412 -0.205 1.832 1.00 0.96 C ATOM 0 H ILE A 27 1.219 -1.177 3.357 1.00 0.50 H new ATOM 0 HA ILE A 27 2.127 -2.668 0.987 1.00 0.49 H new ATOM 0 HB ILE A 27 3.762 -1.748 3.394 1.00 0.59 H new ATOM 0 HG12 ILE A 27 4.013 -1.029 0.453 1.00 0.87 H new ATOM 0 HG13 ILE A 27 3.297 -0.001 1.678 1.00 0.87 H new ATOM 0 HG21 ILE A 27 5.693 -2.793 2.267 1.00 1.00 H new ATOM 0 HG22 ILE A 27 4.444 -3.988 2.691 1.00 1.00 H new ATOM 0 HG23 ILE A 27 4.606 -3.429 1.009 1.00 1.00 H new ATOM 0 HD11 ILE A 27 5.599 0.669 1.208 1.00 0.96 H new ATOM 0 HD12 ILE A 27 5.447 0.085 2.882 1.00 0.96 H new ATOM 0 HD13 ILE A 27 6.174 -0.959 1.638 1.00 0.96 H new ATOM 99 N TRP A 28 1.867 -4.829 2.199 1.00 0.45 N ATOM 100 CA TRP A 28 1.840 -6.098 2.896 1.00 0.48 C ATOM 101 C TRP A 28 3.071 -6.901 2.502 1.00 0.48 C ATOM 102 O TRP A 28 3.114 -7.541 1.449 1.00 0.49 O ATOM 103 CB TRP A 28 0.562 -6.886 2.587 1.00 0.56 C ATOM 104 CG TRP A 28 0.305 -7.993 3.569 1.00 0.89 C ATOM 105 CD1 TRP A 28 -0.547 -7.952 4.636 1.00 1.53 C ATOM 106 CD2 TRP A 28 0.907 -9.297 3.588 1.00 1.15 C ATOM 107 NE1 TRP A 28 -0.510 -9.144 5.317 1.00 2.09 N ATOM 108 CE2 TRP A 28 0.372 -9.984 4.692 1.00 1.83 C ATOM 109 CE3 TRP A 28 1.844 -9.948 2.782 1.00 1.19 C ATOM 110 CZ2 TRP A 28 0.744 -11.286 5.010 1.00 2.26 C ATOM 111 CZ3 TRP A 28 2.212 -11.241 3.099 1.00 1.61 C ATOM 112 CH2 TRP A 28 1.662 -11.897 4.204 1.00 2.06 C ATOM 0 H TRP A 28 1.815 -4.897 1.183 1.00 0.45 H new ATOM 0 HA TRP A 28 1.847 -5.909 3.970 1.00 0.48 H new ATOM 0 HB2 TRP A 28 -0.288 -6.204 2.586 1.00 0.56 H new ATOM 0 HB3 TRP A 28 0.634 -7.307 1.584 1.00 0.56 H new ATOM 0 HD1 TRP A 28 -1.161 -7.105 4.905 1.00 1.53 H new ATOM 0 HE1 TRP A 28 -1.051 -9.367 6.152 1.00 2.09 H new ATOM 0 HE3 TRP A 28 2.273 -9.449 1.926 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 0.322 -11.796 5.864 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 2.936 -11.753 2.483 1.00 1.61 H new ATOM 0 HH2 TRP A 28 1.969 -12.908 4.425 1.00 2.06 H new ATOM 123 N SER A 29 4.090 -6.807 3.330 1.00 0.50 N ATOM 124 CA SER A 29 5.306 -7.578 3.162 1.00 0.54 C ATOM 125 C SER A 29 5.839 -7.948 4.535 1.00 0.60 C ATOM 126 O SER A 29 5.472 -7.311 5.524 1.00 0.87 O ATOM 127 CB SER A 29 6.346 -6.760 2.390 1.00 0.57 C ATOM 128 OG SER A 29 5.823 -6.317 1.149 1.00 1.29 O ATOM 0 H SER A 29 4.099 -6.191 4.143 1.00 0.50 H new ATOM 0 HA SER A 29 5.096 -8.484 2.593 1.00 0.54 H new ATOM 0 HB2 SER A 29 6.654 -5.901 2.986 1.00 0.57 H new ATOM 0 HB3 SER A 29 7.236 -7.365 2.219 1.00 0.57 H new ATOM 0 HG SER A 29 6.504 -5.796 0.674 1.00 1.29 H new ATOM 134 N ASN A 30 6.689 -8.955 4.621 1.00 0.65 N ATOM 135 CA ASN A 30 7.357 -9.219 5.881 1.00 0.69 C ATOM 136 C ASN A 30 8.862 -9.175 5.672 1.00 0.68 C ATOM 137 O ASN A 30 9.555 -10.194 5.700 1.00 0.75 O ATOM 138 CB ASN A 30 6.923 -10.574 6.448 1.00 0.81 C ATOM 139 CG ASN A 30 7.388 -10.779 7.876 1.00 1.55 C ATOM 140 OD1 ASN A 30 7.555 -9.820 8.632 1.00 2.33 O ATOM 141 ND2 ASN A 30 7.590 -12.028 8.258 1.00 2.23 N ATOM 0 H ASN A 30 6.928 -9.587 3.857 1.00 0.65 H new ATOM 0 HA ASN A 30 7.077 -8.453 6.604 1.00 0.69 H new ATOM 0 HB2 ASN A 30 5.836 -10.650 6.408 1.00 0.81 H new ATOM 0 HB3 ASN A 30 7.322 -11.372 5.821 1.00 0.81 H new ATOM 0 HD21 ASN A 30 7.896 -12.227 9.211 1.00 2.23 H new ATOM 0 HD22 ASN A 30 7.440 -12.793 7.600 1.00 2.23 H new ATOM 148 N ASP A 31 9.350 -7.966 5.453 1.00 0.63 N ATOM 149 CA ASP A 31 10.773 -7.694 5.349 1.00 0.64 C ATOM 150 C ASP A 31 11.187 -6.750 6.473 1.00 0.65 C ATOM 151 O ASP A 31 10.326 -6.201 7.160 1.00 0.78 O ATOM 152 CB ASP A 31 11.101 -7.101 3.973 1.00 0.67 C ATOM 153 CG ASP A 31 12.584 -6.858 3.764 1.00 0.72 C ATOM 154 OD1 ASP A 31 13.305 -7.811 3.405 1.00 1.45 O ATOM 155 OD2 ASP A 31 13.036 -5.715 3.967 1.00 1.13 O ATOM 0 H ASP A 31 8.764 -7.138 5.341 1.00 0.63 H new ATOM 0 HA ASP A 31 11.334 -8.623 5.449 1.00 0.64 H new ATOM 0 HB2 ASP A 31 10.737 -7.776 3.198 1.00 0.67 H new ATOM 0 HB3 ASP A 31 10.565 -6.160 3.853 1.00 0.67 H new ATOM 160 N LYS A 32 12.480 -6.555 6.669 1.00 0.69 N ATOM 161 CA LYS A 32 12.949 -5.594 7.653 1.00 0.77 C ATOM 162 C LYS A 32 12.889 -4.170 7.096 1.00 0.71 C ATOM 163 O LYS A 32 12.080 -3.347 7.536 1.00 0.77 O ATOM 164 CB LYS A 32 14.385 -5.919 8.087 1.00 0.97 C ATOM 165 CG LYS A 32 14.548 -7.249 8.812 1.00 1.52 C ATOM 166 CD LYS A 32 13.799 -7.277 10.136 1.00 2.06 C ATOM 167 CE LYS A 32 12.467 -8.000 10.018 1.00 2.28 C ATOM 168 NZ LYS A 32 12.647 -9.444 9.714 1.00 3.05 N ATOM 0 H LYS A 32 13.219 -7.045 6.164 1.00 0.69 H new ATOM 0 HA LYS A 32 12.293 -5.660 8.521 1.00 0.77 H new ATOM 0 HB2 LYS A 32 15.025 -5.922 7.204 1.00 0.97 H new ATOM 0 HB3 LYS A 32 14.743 -5.121 8.737 1.00 0.97 H new ATOM 0 HG2 LYS A 32 14.186 -8.055 8.174 1.00 1.52 H new ATOM 0 HG3 LYS A 32 15.607 -7.436 8.991 1.00 1.52 H new ATOM 0 HD2 LYS A 32 14.413 -7.768 10.890 1.00 2.06 H new ATOM 0 HD3 LYS A 32 13.629 -6.256 10.479 1.00 2.06 H new ATOM 0 HE2 LYS A 32 11.911 -7.891 10.949 1.00 2.28 H new ATOM 0 HE3 LYS A 32 11.870 -7.535 9.234 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 11.833 -9.979 10.077 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 12.717 -9.576 8.685 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 13.517 -9.788 10.167 1.00 3.05 H new ATOM 182 N LYS A 33 13.718 -3.894 6.098 1.00 0.71 N ATOM 183 CA LYS A 33 13.911 -2.528 5.627 1.00 0.75 C ATOM 184 C LYS A 33 12.944 -2.140 4.516 1.00 0.64 C ATOM 185 O LYS A 33 12.841 -0.961 4.179 1.00 0.63 O ATOM 186 CB LYS A 33 15.354 -2.306 5.163 1.00 0.94 C ATOM 187 CG LYS A 33 16.307 -1.924 6.287 1.00 1.55 C ATOM 188 CD LYS A 33 16.521 -3.059 7.271 1.00 2.09 C ATOM 189 CE LYS A 33 17.299 -2.596 8.491 1.00 2.72 C ATOM 190 NZ LYS A 33 16.511 -1.647 9.324 1.00 3.16 N ATOM 0 H LYS A 33 14.266 -4.595 5.600 1.00 0.71 H new ATOM 0 HA LYS A 33 13.701 -1.882 6.479 1.00 0.75 H new ATOM 0 HB2 LYS A 33 15.717 -3.216 4.685 1.00 0.94 H new ATOM 0 HB3 LYS A 33 15.366 -1.522 4.406 1.00 0.94 H new ATOM 0 HG2 LYS A 33 17.266 -1.629 5.862 1.00 1.55 H new ATOM 0 HG3 LYS A 33 15.912 -1.057 6.816 1.00 1.55 H new ATOM 0 HD2 LYS A 33 15.556 -3.459 7.583 1.00 2.09 H new ATOM 0 HD3 LYS A 33 17.059 -3.871 6.781 1.00 2.09 H new ATOM 0 HE2 LYS A 33 17.579 -3.461 9.093 1.00 2.72 H new ATOM 0 HE3 LYS A 33 18.224 -2.117 8.171 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 16.976 -1.526 10.246 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 16.453 -0.727 8.842 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 15.552 -2.024 9.467 1.00 3.16 H new ATOM 204 N LEU A 34 12.237 -3.111 3.946 1.00 0.62 N ATOM 205 CA LEU A 34 11.278 -2.819 2.887 1.00 0.61 C ATOM 206 C LEU A 34 10.223 -1.856 3.416 1.00 0.54 C ATOM 207 O LEU A 34 9.944 -0.827 2.806 1.00 0.61 O ATOM 208 CB LEU A 34 10.632 -4.123 2.375 1.00 0.66 C ATOM 209 CG LEU A 34 9.871 -4.069 1.029 1.00 0.80 C ATOM 210 CD1 LEU A 34 9.499 -5.476 0.593 1.00 1.22 C ATOM 211 CD2 LEU A 34 8.612 -3.220 1.125 1.00 1.59 C ATOM 0 H LEU A 34 12.309 -4.097 4.197 1.00 0.62 H new ATOM 0 HA LEU A 34 11.792 -2.351 2.047 1.00 0.61 H new ATOM 0 HB2 LEU A 34 11.417 -4.874 2.286 1.00 0.66 H new ATOM 0 HB3 LEU A 34 9.938 -4.476 3.138 1.00 0.66 H new ATOM 0 HG LEU A 34 10.532 -3.610 0.293 1.00 0.80 H new ATOM 0 HD11 LEU A 34 8.963 -5.433 -0.355 1.00 1.22 H new ATOM 0 HD12 LEU A 34 10.404 -6.071 0.472 1.00 1.22 H new ATOM 0 HD13 LEU A 34 8.862 -5.935 1.349 1.00 1.22 H new ATOM 0 HD21 LEU A 34 8.107 -3.208 0.159 1.00 1.59 H new ATOM 0 HD22 LEU A 34 7.946 -3.641 1.878 1.00 1.59 H new ATOM 0 HD23 LEU A 34 8.880 -2.202 1.407 1.00 1.59 H new ATOM 223 N ILE A 35 9.667 -2.187 4.570 1.00 0.48 N ATOM 224 CA ILE A 35 8.656 -1.354 5.198 1.00 0.49 C ATOM 225 C ILE A 35 9.291 -0.087 5.764 1.00 0.48 C ATOM 226 O ILE A 35 8.740 1.008 5.632 1.00 0.53 O ATOM 227 CB ILE A 35 7.900 -2.115 6.320 1.00 0.55 C ATOM 228 CG1 ILE A 35 7.025 -3.231 5.733 1.00 0.61 C ATOM 229 CG2 ILE A 35 7.046 -1.164 7.150 1.00 0.64 C ATOM 230 CD1 ILE A 35 7.787 -4.470 5.315 1.00 1.01 C ATOM 0 H ILE A 35 9.901 -3.031 5.093 1.00 0.48 H new ATOM 0 HA ILE A 35 7.931 -1.083 4.431 1.00 0.49 H new ATOM 0 HB ILE A 35 8.648 -2.565 6.972 1.00 0.55 H new ATOM 0 HG12 ILE A 35 6.274 -3.513 6.471 1.00 0.61 H new ATOM 0 HG13 ILE A 35 6.490 -2.839 4.868 1.00 0.61 H new ATOM 0 HG21 ILE A 35 6.528 -1.725 7.928 1.00 0.64 H new ATOM 0 HG22 ILE A 35 7.684 -0.410 7.610 1.00 0.64 H new ATOM 0 HG23 ILE A 35 6.314 -0.676 6.506 1.00 0.64 H new ATOM 0 HD11 ILE A 35 7.092 -5.206 4.912 1.00 1.01 H new ATOM 0 HD12 ILE A 35 8.519 -4.207 4.552 1.00 1.01 H new ATOM 0 HD13 ILE A 35 8.300 -4.891 6.180 1.00 1.01 H new ATOM 242 N GLU A 36 10.465 -0.244 6.368 1.00 0.50 N ATOM 243 CA GLU A 36 11.176 0.871 6.986 1.00 0.53 C ATOM 244 C GLU A 36 11.459 1.987 5.976 1.00 0.48 C ATOM 245 O GLU A 36 11.016 3.123 6.158 1.00 0.51 O ATOM 246 CB GLU A 36 12.486 0.373 7.603 1.00 0.66 C ATOM 247 CG GLU A 36 13.267 1.448 8.339 1.00 1.22 C ATOM 248 CD GLU A 36 14.528 0.913 8.981 1.00 1.73 C ATOM 249 OE1 GLU A 36 15.526 0.689 8.260 1.00 2.62 O ATOM 250 OE2 GLU A 36 14.542 0.726 10.214 1.00 2.01 O ATOM 0 H GLU A 36 10.947 -1.140 6.443 1.00 0.50 H new ATOM 0 HA GLU A 36 10.540 1.286 7.768 1.00 0.53 H new ATOM 0 HB2 GLU A 36 12.265 -0.440 8.295 1.00 0.66 H new ATOM 0 HB3 GLU A 36 13.113 -0.042 6.814 1.00 0.66 H new ATOM 0 HG2 GLU A 36 13.528 2.244 7.642 1.00 1.22 H new ATOM 0 HG3 GLU A 36 12.633 1.892 9.106 1.00 1.22 H new ATOM 257 N GLU A 37 12.174 1.655 4.907 1.00 0.48 N ATOM 258 CA GLU A 37 12.570 2.647 3.912 1.00 0.51 C ATOM 259 C GLU A 37 11.365 3.209 3.170 1.00 0.44 C ATOM 260 O GLU A 37 11.332 4.393 2.831 1.00 0.48 O ATOM 261 CB GLU A 37 13.565 2.049 2.918 1.00 0.65 C ATOM 262 CG GLU A 37 14.950 1.822 3.499 1.00 0.80 C ATOM 263 CD GLU A 37 15.579 3.102 4.020 1.00 0.91 C ATOM 264 OE1 GLU A 37 15.861 4.008 3.210 1.00 1.61 O ATOM 265 OE2 GLU A 37 15.807 3.206 5.244 1.00 1.55 O ATOM 0 H GLU A 37 12.492 0.707 4.706 1.00 0.48 H new ATOM 0 HA GLU A 37 13.051 3.467 4.445 1.00 0.51 H new ATOM 0 HB2 GLU A 37 13.174 1.099 2.553 1.00 0.65 H new ATOM 0 HB3 GLU A 37 13.647 2.712 2.057 1.00 0.65 H new ATOM 0 HG2 GLU A 37 14.886 1.096 4.310 1.00 0.80 H new ATOM 0 HG3 GLU A 37 15.595 1.389 2.734 1.00 0.80 H new ATOM 272 N ALA A 38 10.373 2.365 2.927 1.00 0.40 N ATOM 273 CA ALA A 38 9.170 2.788 2.227 1.00 0.42 C ATOM 274 C ALA A 38 8.385 3.799 3.055 1.00 0.39 C ATOM 275 O ALA A 38 7.927 4.820 2.538 1.00 0.42 O ATOM 276 CB ALA A 38 8.305 1.587 1.892 1.00 0.50 C ATOM 0 H ALA A 38 10.378 1.383 3.204 1.00 0.40 H new ATOM 0 HA ALA A 38 9.468 3.273 1.297 1.00 0.42 H new ATOM 0 HB1 ALA A 38 7.408 1.919 1.368 1.00 0.50 H new ATOM 0 HB2 ALA A 38 8.864 0.902 1.255 1.00 0.50 H new ATOM 0 HB3 ALA A 38 8.020 1.076 2.812 1.00 0.50 H new ATOM 282 N ARG A 39 8.249 3.522 4.346 1.00 0.41 N ATOM 283 CA ARG A 39 7.539 4.418 5.248 1.00 0.50 C ATOM 284 C ARG A 39 8.253 5.764 5.331 1.00 0.46 C ATOM 285 O ARG A 39 7.614 6.809 5.429 1.00 0.52 O ATOM 286 CB ARG A 39 7.415 3.786 6.637 1.00 0.62 C ATOM 287 CG ARG A 39 6.630 4.631 7.628 1.00 1.18 C ATOM 288 CD ARG A 39 6.439 3.903 8.948 1.00 1.43 C ATOM 289 NE ARG A 39 5.547 2.749 8.816 1.00 1.88 N ATOM 290 CZ ARG A 39 5.592 1.675 9.606 1.00 2.58 C ATOM 291 NH1 ARG A 39 6.501 1.591 10.572 1.00 2.84 N ATOM 292 NH2 ARG A 39 4.730 0.683 9.427 1.00 3.48 N ATOM 0 H ARG A 39 8.622 2.683 4.791 1.00 0.41 H new ATOM 0 HA ARG A 39 6.536 4.585 4.856 1.00 0.50 H new ATOM 0 HB2 ARG A 39 6.933 2.813 6.541 1.00 0.62 H new ATOM 0 HB3 ARG A 39 8.414 3.609 7.036 1.00 0.62 H new ATOM 0 HG2 ARG A 39 7.154 5.571 7.802 1.00 1.18 H new ATOM 0 HG3 ARG A 39 5.657 4.881 7.205 1.00 1.18 H new ATOM 0 HD2 ARG A 39 7.408 3.571 9.322 1.00 1.43 H new ATOM 0 HD3 ARG A 39 6.031 4.593 9.687 1.00 1.43 H new ATOM 0 HE ARG A 39 4.848 2.768 8.074 1.00 1.88 H new ATOM 0 HH11 ARG A 39 7.168 2.350 10.712 1.00 2.84 H new ATOM 0 HH12 ARG A 39 6.531 0.768 11.173 1.00 2.84 H new ATOM 0 HH21 ARG A 39 4.032 0.741 8.685 1.00 3.48 H new ATOM 0 HH22 ARG A 39 4.765 -0.138 10.031 1.00 3.48 H new ATOM 306 N LYS A 40 9.578 5.727 5.262 1.00 0.45 N ATOM 307 CA LYS A 40 10.390 6.942 5.267 1.00 0.49 C ATOM 308 C LYS A 40 10.095 7.806 4.043 1.00 0.42 C ATOM 309 O LYS A 40 10.041 9.037 4.133 1.00 0.47 O ATOM 310 CB LYS A 40 11.876 6.583 5.302 1.00 0.62 C ATOM 311 CG LYS A 40 12.326 5.986 6.624 1.00 1.06 C ATOM 312 CD LYS A 40 13.725 5.394 6.532 1.00 1.58 C ATOM 313 CE LYS A 40 14.749 6.403 6.036 1.00 2.12 C ATOM 314 NZ LYS A 40 16.107 5.807 5.941 1.00 2.95 N ATOM 0 H LYS A 40 10.118 4.864 5.201 1.00 0.45 H new ATOM 0 HA LYS A 40 10.136 7.513 6.160 1.00 0.49 H new ATOM 0 HB2 LYS A 40 12.089 5.874 4.502 1.00 0.62 H new ATOM 0 HB3 LYS A 40 12.463 7.479 5.099 1.00 0.62 H new ATOM 0 HG2 LYS A 40 12.308 6.756 7.395 1.00 1.06 H new ATOM 0 HG3 LYS A 40 11.623 5.211 6.930 1.00 1.06 H new ATOM 0 HD2 LYS A 40 14.026 5.026 7.513 1.00 1.58 H new ATOM 0 HD3 LYS A 40 13.710 4.535 5.861 1.00 1.58 H new ATOM 0 HE2 LYS A 40 14.447 6.777 5.058 1.00 2.12 H new ATOM 0 HE3 LYS A 40 14.773 7.258 6.711 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 16.603 6.203 5.117 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 16.643 6.025 6.805 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 16.027 4.776 5.834 1.00 2.95 H new ATOM 328 N MET A 41 9.909 7.158 2.902 1.00 0.39 N ATOM 329 CA MET A 41 9.604 7.860 1.660 1.00 0.41 C ATOM 330 C MET A 41 8.192 8.426 1.696 1.00 0.42 C ATOM 331 O MET A 41 7.953 9.558 1.266 1.00 0.52 O ATOM 332 CB MET A 41 9.759 6.928 0.459 1.00 0.48 C ATOM 333 CG MET A 41 11.181 6.447 0.243 1.00 0.69 C ATOM 334 SD MET A 41 12.331 7.789 -0.118 1.00 1.10 S ATOM 335 CE MET A 41 11.708 8.350 -1.701 1.00 1.55 C ATOM 0 H MET A 41 9.964 6.144 2.809 1.00 0.39 H new ATOM 0 HA MET A 41 10.311 8.683 1.558 1.00 0.41 H new ATOM 0 HB2 MET A 41 9.109 6.064 0.594 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.419 7.446 -0.438 1.00 0.48 H new ATOM 0 HG2 MET A 41 11.518 5.916 1.133 1.00 0.69 H new ATOM 0 HG3 MET A 41 11.196 5.732 -0.579 1.00 0.69 H new ATOM 0 HE1 MET A 41 12.467 8.956 -2.197 1.00 1.55 H new ATOM 0 HE2 MET A 41 11.468 7.488 -2.324 1.00 1.55 H new ATOM 0 HE3 MET A 41 10.810 8.948 -1.547 1.00 1.55 H new ATOM 345 N ALA A 42 7.260 7.636 2.212 1.00 0.40 N ATOM 346 CA ALA A 42 5.878 8.071 2.348 1.00 0.49 C ATOM 347 C ALA A 42 5.782 9.239 3.321 1.00 0.51 C ATOM 348 O ALA A 42 5.084 10.219 3.067 1.00 0.59 O ATOM 349 CB ALA A 42 5.001 6.919 2.810 1.00 0.58 C ATOM 0 H ALA A 42 7.438 6.688 2.544 1.00 0.40 H new ATOM 0 HA ALA A 42 5.523 8.404 1.373 1.00 0.49 H new ATOM 0 HB1 ALA A 42 3.971 7.262 2.906 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.048 6.111 2.080 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.355 6.557 3.775 1.00 0.58 H new ATOM 355 N GLU A 43 6.509 9.127 4.425 1.00 0.50 N ATOM 356 CA GLU A 43 6.547 10.164 5.446 1.00 0.60 C ATOM 357 C GLU A 43 7.067 11.480 4.874 1.00 0.62 C ATOM 358 O GLU A 43 6.579 12.556 5.222 1.00 0.73 O ATOM 359 CB GLU A 43 7.437 9.705 6.604 1.00 0.67 C ATOM 360 CG GLU A 43 7.607 10.731 7.709 1.00 0.97 C ATOM 361 CD GLU A 43 8.533 10.242 8.798 1.00 1.62 C ATOM 362 OE1 GLU A 43 9.766 10.380 8.645 1.00 2.16 O ATOM 363 OE2 GLU A 43 8.038 9.704 9.809 1.00 2.38 O ATOM 0 H GLU A 43 7.088 8.315 4.637 1.00 0.50 H new ATOM 0 HA GLU A 43 5.533 10.334 5.808 1.00 0.60 H new ATOM 0 HB2 GLU A 43 7.016 8.795 7.031 1.00 0.67 H new ATOM 0 HB3 GLU A 43 8.420 9.447 6.210 1.00 0.67 H new ATOM 0 HG2 GLU A 43 8.000 11.656 7.287 1.00 0.97 H new ATOM 0 HG3 GLU A 43 6.633 10.965 8.139 1.00 0.97 H new ATOM 370 N LYS A 44 8.044 11.387 3.980 1.00 0.58 N ATOM 371 CA LYS A 44 8.665 12.572 3.396 1.00 0.66 C ATOM 372 C LYS A 44 7.645 13.412 2.630 1.00 0.66 C ATOM 373 O LYS A 44 7.672 14.643 2.683 1.00 0.70 O ATOM 374 CB LYS A 44 9.813 12.173 2.466 1.00 0.76 C ATOM 375 CG LYS A 44 10.530 13.363 1.847 1.00 1.29 C ATOM 376 CD LYS A 44 11.246 14.200 2.898 1.00 1.69 C ATOM 377 CE LYS A 44 12.499 13.507 3.412 1.00 2.09 C ATOM 378 NZ LYS A 44 13.523 13.356 2.344 1.00 2.20 N ATOM 0 H LYS A 44 8.424 10.503 3.643 1.00 0.58 H new ATOM 0 HA LYS A 44 9.061 13.174 4.214 1.00 0.66 H new ATOM 0 HB2 LYS A 44 10.533 11.575 3.025 1.00 0.76 H new ATOM 0 HB3 LYS A 44 9.422 11.539 1.670 1.00 0.76 H new ATOM 0 HG2 LYS A 44 11.251 13.010 1.110 1.00 1.29 H new ATOM 0 HG3 LYS A 44 9.810 13.985 1.315 1.00 1.29 H new ATOM 0 HD2 LYS A 44 11.514 15.167 2.472 1.00 1.69 H new ATOM 0 HD3 LYS A 44 10.570 14.394 3.731 1.00 1.69 H new ATOM 0 HE2 LYS A 44 12.918 14.080 4.239 1.00 2.09 H new ATOM 0 HE3 LYS A 44 12.236 12.525 3.805 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 14.456 13.204 2.777 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 13.282 12.541 1.745 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 13.548 14.218 1.762 1.00 2.20 H new ATOM 392 N ALA A 45 6.742 12.745 1.926 1.00 0.67 N ATOM 393 CA ALA A 45 5.732 13.440 1.141 1.00 0.74 C ATOM 394 C ALA A 45 4.413 13.520 1.903 1.00 0.73 C ATOM 395 O ALA A 45 3.388 13.935 1.355 1.00 0.81 O ATOM 396 CB ALA A 45 5.542 12.753 -0.203 1.00 0.82 C ATOM 0 H ALA A 45 6.688 11.727 1.882 1.00 0.67 H new ATOM 0 HA ALA A 45 6.076 14.459 0.961 1.00 0.74 H new ATOM 0 HB1 ALA A 45 4.784 13.284 -0.779 1.00 0.82 H new ATOM 0 HB2 ALA A 45 6.484 12.759 -0.751 1.00 0.82 H new ATOM 0 HB3 ALA A 45 5.222 11.723 -0.043 1.00 0.82 H new ATOM 402 N ASN A 46 4.461 13.120 3.175 1.00 0.69 N ATOM 403 CA ASN A 46 3.299 13.147 4.065 1.00 0.72 C ATOM 404 C ASN A 46 2.164 12.293 3.514 1.00 0.67 C ATOM 405 O ASN A 46 0.998 12.677 3.570 1.00 0.84 O ATOM 406 CB ASN A 46 2.818 14.586 4.297 1.00 0.87 C ATOM 407 CG ASN A 46 3.856 15.463 4.980 1.00 1.46 C ATOM 408 OD1 ASN A 46 4.670 14.876 5.846 1.00 2.13 O flip ATOM 409 ND2 ASN A 46 3.921 16.671 4.737 1.00 2.13 N flip ATOM 0 H ASN A 46 5.309 12.767 3.618 1.00 0.69 H new ATOM 0 HA ASN A 46 3.608 12.728 5.022 1.00 0.72 H new ATOM 0 HB2 ASN A 46 2.550 15.031 3.339 1.00 0.87 H new ATOM 0 HB3 ASN A 46 1.913 14.566 4.904 1.00 0.87 H new ATOM 0 HD21 ASN A 46 3.279 17.091 4.065 1.00 2.13 H new ATOM 0 HD22 ASN A 46 4.617 17.249 5.208 1.00 2.13 H new ATOM 416 N LEU A 47 2.514 11.122 2.996 1.00 0.51 N ATOM 417 CA LEU A 47 1.535 10.213 2.414 1.00 0.51 C ATOM 418 C LEU A 47 1.015 9.265 3.484 1.00 0.46 C ATOM 419 O LEU A 47 1.675 9.045 4.499 1.00 0.56 O ATOM 420 CB LEU A 47 2.168 9.395 1.282 1.00 0.58 C ATOM 421 CG LEU A 47 2.916 10.197 0.214 1.00 0.69 C ATOM 422 CD1 LEU A 47 3.579 9.258 -0.779 1.00 1.00 C ATOM 423 CD2 LEU A 47 1.980 11.151 -0.510 1.00 1.18 C ATOM 0 H LEU A 47 3.474 10.778 2.967 1.00 0.51 H new ATOM 0 HA LEU A 47 0.712 10.803 2.010 1.00 0.51 H new ATOM 0 HB2 LEU A 47 2.861 8.678 1.722 1.00 0.58 H new ATOM 0 HB3 LEU A 47 1.382 8.820 0.793 1.00 0.58 H new ATOM 0 HG LEU A 47 3.684 10.789 0.711 1.00 0.69 H new ATOM 0 HD11 LEU A 47 4.108 9.841 -1.533 1.00 1.00 H new ATOM 0 HD12 LEU A 47 4.287 8.615 -0.255 1.00 1.00 H new ATOM 0 HD13 LEU A 47 2.819 8.643 -1.262 1.00 1.00 H new ATOM 0 HD21 LEU A 47 2.538 11.707 -1.263 1.00 1.18 H new ATOM 0 HD22 LEU A 47 1.185 10.584 -0.994 1.00 1.18 H new ATOM 0 HD23 LEU A 47 1.544 11.847 0.207 1.00 1.18 H new ATOM 435 N TYR A 48 -0.165 8.706 3.262 1.00 0.49 N ATOM 436 CA TYR A 48 -0.743 7.769 4.210 1.00 0.54 C ATOM 437 C TYR A 48 -0.400 6.344 3.802 1.00 0.46 C ATOM 438 O TYR A 48 -0.999 5.797 2.878 1.00 0.58 O ATOM 439 CB TYR A 48 -2.264 7.943 4.291 1.00 0.64 C ATOM 440 CG TYR A 48 -2.700 9.349 4.642 1.00 0.77 C ATOM 441 CD1 TYR A 48 -2.760 9.770 5.965 1.00 1.51 C ATOM 442 CD2 TYR A 48 -3.054 10.253 3.650 1.00 1.31 C ATOM 443 CE1 TYR A 48 -3.162 11.053 6.287 1.00 1.61 C ATOM 444 CE2 TYR A 48 -3.455 11.535 3.964 1.00 1.43 C ATOM 445 CZ TYR A 48 -3.509 11.932 5.282 1.00 1.09 C ATOM 446 OH TYR A 48 -3.908 13.212 5.595 1.00 1.28 O ATOM 0 H TYR A 48 -0.738 8.885 2.437 1.00 0.49 H new ATOM 0 HA TYR A 48 -0.324 7.971 5.196 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -2.704 7.665 3.333 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -2.660 7.253 5.036 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -2.488 9.084 6.754 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -3.015 9.948 2.615 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -3.204 11.365 7.320 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -3.726 12.225 3.179 1.00 1.43 H new ATOM 0 HH TYR A 48 -4.115 13.701 4.771 1.00 1.28 H new ATOM 456 N LEU A 49 0.585 5.765 4.476 1.00 0.46 N ATOM 457 CA LEU A 49 1.022 4.403 4.194 1.00 0.46 C ATOM 458 C LEU A 49 0.610 3.477 5.330 1.00 0.50 C ATOM 459 O LEU A 49 0.985 3.684 6.484 1.00 0.61 O ATOM 460 CB LEU A 49 2.542 4.376 3.978 1.00 0.66 C ATOM 461 CG LEU A 49 3.153 3.007 3.654 1.00 0.81 C ATOM 462 CD1 LEU A 49 4.292 3.166 2.665 1.00 1.76 C ATOM 463 CD2 LEU A 49 3.663 2.328 4.918 1.00 1.35 C ATOM 0 H LEU A 49 1.101 6.222 5.228 1.00 0.46 H new ATOM 0 HA LEU A 49 0.542 4.051 3.281 1.00 0.46 H new ATOM 0 HB2 LEU A 49 2.785 5.061 3.166 1.00 0.66 H new ATOM 0 HB3 LEU A 49 3.023 4.763 4.876 1.00 0.66 H new ATOM 0 HG LEU A 49 2.375 2.383 3.214 1.00 0.81 H new ATOM 0 HD11 LEU A 49 4.719 2.188 2.442 1.00 1.76 H new ATOM 0 HD12 LEU A 49 3.916 3.616 1.746 1.00 1.76 H new ATOM 0 HD13 LEU A 49 5.061 3.808 3.095 1.00 1.76 H new ATOM 0 HD21 LEU A 49 4.092 1.359 4.663 1.00 1.35 H new ATOM 0 HD22 LEU A 49 4.427 2.951 5.383 1.00 1.35 H new ATOM 0 HD23 LEU A 49 2.836 2.187 5.614 1.00 1.35 H new ATOM 475 N LEU A 50 -0.172 2.466 4.991 1.00 0.52 N ATOM 476 CA LEU A 50 -0.687 1.524 5.973 1.00 0.63 C ATOM 477 C LEU A 50 0.126 0.233 5.975 1.00 0.69 C ATOM 478 O LEU A 50 0.445 -0.318 4.920 1.00 0.69 O ATOM 479 CB LEU A 50 -2.160 1.199 5.700 1.00 0.77 C ATOM 480 CG LEU A 50 -3.141 2.374 5.828 1.00 0.81 C ATOM 481 CD1 LEU A 50 -3.073 3.293 4.619 1.00 1.24 C ATOM 482 CD2 LEU A 50 -4.555 1.859 6.025 1.00 1.48 C ATOM 0 H LEU A 50 -0.467 2.275 4.033 1.00 0.52 H new ATOM 0 HA LEU A 50 -0.602 1.996 6.952 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -2.241 0.791 4.692 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -2.472 0.413 6.388 1.00 0.77 H new ATOM 0 HG LEU A 50 -2.851 2.957 6.702 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -3.781 4.113 4.745 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -2.064 3.696 4.524 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -3.325 2.731 3.720 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -5.240 2.702 6.114 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -4.842 1.247 5.170 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -4.600 1.257 6.933 1.00 1.48 H new ATOM 494 N THR A 51 0.474 -0.232 7.163 1.00 0.85 N ATOM 495 CA THR A 51 1.135 -1.517 7.325 1.00 1.00 C ATOM 496 C THR A 51 0.292 -2.405 8.238 1.00 1.38 C ATOM 497 O THR A 51 0.342 -2.281 9.464 1.00 2.04 O ATOM 498 CB THR A 51 2.547 -1.343 7.925 1.00 1.42 C ATOM 499 OG1 THR A 51 3.249 -0.287 7.246 1.00 1.86 O ATOM 500 CG2 THR A 51 3.347 -2.632 7.818 1.00 2.07 C ATOM 0 H THR A 51 0.308 0.266 8.037 1.00 0.85 H new ATOM 0 HA THR A 51 1.238 -1.982 6.345 1.00 1.00 H new ATOM 0 HB THR A 51 2.434 -1.087 8.979 1.00 1.42 H new ATOM 0 HG1 THR A 51 4.186 -0.546 7.119 1.00 1.86 H new ATOM 0 HG21 THR A 51 4.337 -2.482 8.248 1.00 2.07 H new ATOM 0 HG22 THR A 51 2.833 -3.426 8.360 1.00 2.07 H new ATOM 0 HG23 THR A 51 3.445 -2.913 6.770 1.00 2.07 H new ATOM 508 N LEU A 52 -0.478 -3.304 7.641 1.00 1.17 N ATOM 509 CA LEU A 52 -1.478 -4.066 8.389 1.00 1.66 C ATOM 510 C LEU A 52 -1.946 -5.292 7.609 1.00 1.10 C ATOM 511 O LEU A 52 -1.386 -5.613 6.562 1.00 1.25 O ATOM 512 CB LEU A 52 -2.683 -3.150 8.744 1.00 2.63 C ATOM 513 CG LEU A 52 -3.269 -2.320 7.576 1.00 2.95 C ATOM 514 CD1 LEU A 52 -4.063 -3.184 6.605 1.00 3.41 C ATOM 515 CD2 LEU A 52 -4.157 -1.196 8.098 1.00 3.43 C ATOM 0 H LEU A 52 -0.433 -3.526 6.646 1.00 1.17 H new ATOM 0 HA LEU A 52 -1.016 -4.422 9.310 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -3.478 -3.771 9.157 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -2.373 -2.464 9.532 1.00 2.63 H new ATOM 0 HG LEU A 52 -2.422 -1.892 7.040 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -4.456 -2.561 5.801 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -3.412 -3.951 6.185 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -4.890 -3.659 7.133 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -4.556 -0.628 7.258 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -4.980 -1.620 8.673 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -3.570 -0.536 8.737 1.00 3.43 H new ATOM 527 N GLU A 53 -2.963 -5.970 8.134 1.00 1.35 N ATOM 528 CA GLU A 53 -3.545 -7.127 7.467 1.00 1.60 C ATOM 529 C GLU A 53 -4.795 -6.722 6.690 1.00 1.84 C ATOM 530 O GLU A 53 -4.783 -6.663 5.465 1.00 2.34 O ATOM 531 CB GLU A 53 -3.906 -8.216 8.481 1.00 2.04 C ATOM 532 CG GLU A 53 -2.725 -8.739 9.279 1.00 2.24 C ATOM 533 CD GLU A 53 -1.631 -9.307 8.401 1.00 2.43 C ATOM 534 OE1 GLU A 53 -1.925 -10.184 7.558 1.00 2.97 O ATOM 535 OE2 GLU A 53 -0.464 -8.897 8.567 1.00 2.75 O ATOM 0 H GLU A 53 -3.402 -5.735 9.024 1.00 1.35 H new ATOM 0 HA GLU A 53 -2.802 -7.522 6.774 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -4.651 -7.821 9.172 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -4.371 -9.049 7.953 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -2.315 -7.931 9.885 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -3.070 -9.511 9.967 1.00 2.24 H new ATOM 542 N THR A 54 -5.868 -6.431 7.418 1.00 1.76 N ATOM 543 CA THR A 54 -7.135 -6.063 6.804 1.00 1.96 C ATOM 544 C THR A 54 -7.232 -4.554 6.601 1.00 1.44 C ATOM 545 O THR A 54 -7.029 -3.771 7.533 1.00 1.41 O ATOM 546 CB THR A 54 -8.318 -6.568 7.651 1.00 2.58 C ATOM 547 OG1 THR A 54 -8.082 -6.293 9.039 1.00 2.85 O ATOM 548 CG2 THR A 54 -8.517 -8.063 7.454 1.00 3.30 C ATOM 0 H THR A 54 -5.883 -6.444 8.438 1.00 1.76 H new ATOM 0 HA THR A 54 -7.180 -6.540 5.825 1.00 1.96 H new ATOM 0 HB THR A 54 -9.219 -6.047 7.327 1.00 2.58 H new ATOM 0 HG1 THR A 54 -7.693 -5.398 9.134 1.00 2.85 H new ATOM 0 HG21 THR A 54 -9.357 -8.401 8.060 1.00 3.30 H new ATOM 0 HG22 THR A 54 -8.722 -8.267 6.403 1.00 3.30 H new ATOM 0 HG23 THR A 54 -7.614 -8.593 7.757 1.00 3.30 H new ATOM 556 N ASP A 55 -7.561 -4.155 5.382 1.00 1.58 N ATOM 557 CA ASP A 55 -7.479 -2.751 4.977 1.00 1.57 C ATOM 558 C ASP A 55 -8.731 -1.981 5.384 1.00 1.40 C ATOM 559 O ASP A 55 -8.684 -0.769 5.604 1.00 1.25 O ATOM 560 CB ASP A 55 -7.303 -2.642 3.449 1.00 2.38 C ATOM 561 CG ASP A 55 -8.576 -3.004 2.702 1.00 3.04 C ATOM 562 OD1 ASP A 55 -9.152 -2.122 2.030 1.00 3.66 O ATOM 563 OD2 ASP A 55 -9.029 -4.160 2.816 1.00 3.51 O ATOM 0 H ASP A 55 -7.890 -4.784 4.649 1.00 1.58 H new ATOM 0 HA ASP A 55 -6.616 -2.317 5.483 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -7.007 -1.625 3.190 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -6.495 -3.300 3.129 1.00 2.38 H new ATOM 568 N ASP A 56 -9.838 -2.701 5.507 1.00 1.62 N ATOM 569 CA ASP A 56 -11.153 -2.092 5.696 1.00 1.72 C ATOM 570 C ASP A 56 -11.243 -1.240 6.958 1.00 1.47 C ATOM 571 O ASP A 56 -12.062 -0.330 7.028 1.00 1.48 O ATOM 572 CB ASP A 56 -12.239 -3.171 5.720 1.00 2.15 C ATOM 573 CG ASP A 56 -12.003 -4.223 6.784 1.00 2.43 C ATOM 574 OD1 ASP A 56 -12.624 -4.144 7.862 1.00 2.98 O ATOM 575 OD2 ASP A 56 -11.199 -5.144 6.544 1.00 2.88 O ATOM 0 H ASP A 56 -9.853 -3.721 5.479 1.00 1.62 H new ATOM 0 HA ASP A 56 -11.309 -1.424 4.849 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -13.207 -2.701 5.890 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -12.286 -3.653 4.744 1.00 2.15 H new ATOM 580 N LYS A 57 -10.406 -1.516 7.945 1.00 1.39 N ATOM 581 CA LYS A 57 -10.471 -0.788 9.207 1.00 1.42 C ATOM 582 C LYS A 57 -9.868 0.612 9.081 1.00 1.20 C ATOM 583 O LYS A 57 -10.580 1.623 9.125 1.00 1.27 O ATOM 584 CB LYS A 57 -9.754 -1.570 10.310 1.00 1.57 C ATOM 585 CG LYS A 57 -9.817 -0.896 11.673 1.00 1.98 C ATOM 586 CD LYS A 57 -9.132 -1.733 12.738 1.00 2.71 C ATOM 587 CE LYS A 57 -9.223 -1.074 14.104 1.00 3.40 C ATOM 588 NZ LYS A 57 -8.618 -1.919 15.166 1.00 4.03 N ATOM 0 H LYS A 57 -9.680 -2.231 7.901 1.00 1.39 H new ATOM 0 HA LYS A 57 -11.523 -0.678 9.470 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -10.195 -2.564 10.385 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -8.710 -1.705 10.028 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -9.343 0.084 11.618 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -10.858 -0.732 11.951 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -9.591 -2.721 12.778 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -8.085 -1.878 12.471 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -8.718 -0.108 14.076 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -10.268 -0.880 14.345 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -8.700 -1.435 16.083 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -9.116 -2.831 15.210 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -7.614 -2.083 14.949 1.00 4.03 H new ATOM 602 N LYS A 58 -8.557 0.671 8.902 1.00 1.07 N ATOM 603 CA LYS A 58 -7.850 1.943 8.933 1.00 1.04 C ATOM 604 C LYS A 58 -8.128 2.769 7.684 1.00 0.88 C ATOM 605 O LYS A 58 -8.182 3.996 7.750 1.00 0.87 O ATOM 606 CB LYS A 58 -6.346 1.721 9.115 1.00 1.18 C ATOM 607 CG LYS A 58 -5.971 1.113 10.462 1.00 1.64 C ATOM 608 CD LYS A 58 -6.451 1.974 11.621 1.00 2.25 C ATOM 609 CE LYS A 58 -6.115 1.350 12.966 1.00 2.61 C ATOM 610 NZ LYS A 58 -4.650 1.253 13.194 1.00 2.99 N ATOM 0 H LYS A 58 -7.964 -0.142 8.735 1.00 1.07 H new ATOM 0 HA LYS A 58 -8.222 2.507 9.788 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -5.986 1.068 8.320 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -5.831 2.675 9.002 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -6.405 0.116 10.545 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -4.889 0.995 10.520 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -5.994 2.961 11.554 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -7.529 2.116 11.546 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -6.565 1.943 13.762 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -6.556 0.355 13.022 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -4.471 0.933 14.167 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -4.239 0.572 12.524 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -4.214 2.186 13.051 1.00 2.99 H new ATOM 624 N ILE A 59 -8.329 2.103 6.551 1.00 0.83 N ATOM 625 CA ILE A 59 -8.633 2.811 5.315 1.00 0.80 C ATOM 626 C ILE A 59 -9.990 3.505 5.415 1.00 0.74 C ATOM 627 O ILE A 59 -10.167 4.585 4.865 1.00 0.78 O ATOM 628 CB ILE A 59 -8.590 1.879 4.072 1.00 0.90 C ATOM 629 CG1 ILE A 59 -7.138 1.527 3.698 1.00 1.12 C ATOM 630 CG2 ILE A 59 -9.305 2.509 2.882 1.00 0.96 C ATOM 631 CD1 ILE A 59 -7.025 0.686 2.443 1.00 1.33 C ATOM 0 H ILE A 59 -8.287 1.088 6.464 1.00 0.83 H new ATOM 0 HA ILE A 59 -7.856 3.563 5.179 1.00 0.80 H new ATOM 0 HB ILE A 59 -9.113 0.959 4.334 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -6.573 2.449 3.560 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -6.677 0.991 4.528 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -9.257 1.832 2.029 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -10.348 2.694 3.140 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -8.822 3.452 2.625 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -5.975 0.476 2.239 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -7.562 -0.252 2.584 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -7.456 1.228 1.602 1.00 1.33 H new ATOM 643 N GLU A 60 -10.931 2.903 6.142 1.00 0.77 N ATOM 644 CA GLU A 60 -12.234 3.526 6.356 1.00 0.87 C ATOM 645 C GLU A 60 -12.082 4.957 6.857 1.00 0.85 C ATOM 646 O GLU A 60 -12.666 5.887 6.296 1.00 0.94 O ATOM 647 CB GLU A 60 -13.064 2.726 7.359 1.00 1.04 C ATOM 648 CG GLU A 60 -14.136 1.867 6.714 1.00 1.32 C ATOM 649 CD GLU A 60 -15.144 2.689 5.942 1.00 1.47 C ATOM 650 OE1 GLU A 60 -16.088 3.221 6.564 1.00 1.96 O ATOM 651 OE2 GLU A 60 -15.001 2.807 4.711 1.00 2.01 O ATOM 0 H GLU A 60 -10.816 1.993 6.588 1.00 0.77 H new ATOM 0 HA GLU A 60 -12.748 3.539 5.395 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -12.399 2.087 7.940 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -13.536 3.415 8.059 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -13.667 1.148 6.043 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -14.652 1.294 7.485 1.00 1.32 H new ATOM 658 N ASP A 61 -11.279 5.124 7.900 1.00 0.82 N ATOM 659 CA ASP A 61 -11.074 6.444 8.494 1.00 0.88 C ATOM 660 C ASP A 61 -10.209 7.328 7.599 1.00 0.79 C ATOM 661 O ASP A 61 -10.560 8.477 7.315 1.00 0.83 O ATOM 662 CB ASP A 61 -10.420 6.323 9.871 1.00 0.99 C ATOM 663 CG ASP A 61 -10.380 7.653 10.601 1.00 1.55 C ATOM 664 OD1 ASP A 61 -9.376 8.388 10.475 1.00 2.27 O ATOM 665 OD2 ASP A 61 -11.364 7.971 11.301 1.00 2.05 O ATOM 0 H ASP A 61 -10.761 4.370 8.351 1.00 0.82 H new ATOM 0 HA ASP A 61 -12.055 6.907 8.600 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -10.969 5.597 10.470 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -9.405 5.941 9.758 1.00 0.99 H new ATOM 670 N ILE A 62 -9.086 6.784 7.148 1.00 0.72 N ATOM 671 CA ILE A 62 -8.118 7.552 6.375 1.00 0.69 C ATOM 672 C ILE A 62 -8.689 7.988 5.023 1.00 0.68 C ATOM 673 O ILE A 62 -8.586 9.154 4.653 1.00 0.73 O ATOM 674 CB ILE A 62 -6.811 6.758 6.163 1.00 0.73 C ATOM 675 CG1 ILE A 62 -6.179 6.418 7.518 1.00 0.81 C ATOM 676 CG2 ILE A 62 -5.835 7.554 5.309 1.00 0.77 C ATOM 677 CD1 ILE A 62 -4.910 5.598 7.415 1.00 0.93 C ATOM 0 H ILE A 62 -8.822 5.811 7.305 1.00 0.72 H new ATOM 0 HA ILE A 62 -7.893 8.447 6.955 1.00 0.69 H new ATOM 0 HB ILE A 62 -7.046 5.831 5.640 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -5.959 7.345 8.048 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -6.905 5.871 8.120 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -4.920 6.979 5.170 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -6.285 7.759 4.338 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -5.600 8.495 5.806 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -4.524 5.398 8.414 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -5.126 4.654 6.914 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -4.165 6.150 6.842 1.00 0.93 H new ATOM 689 N LEU A 63 -9.315 7.064 4.306 1.00 0.68 N ATOM 690 CA LEU A 63 -9.906 7.373 2.997 1.00 0.76 C ATOM 691 C LEU A 63 -10.998 8.430 3.138 1.00 0.84 C ATOM 692 O LEU A 63 -11.152 9.296 2.275 1.00 0.94 O ATOM 693 CB LEU A 63 -10.472 6.104 2.333 1.00 0.85 C ATOM 694 CG LEU A 63 -11.557 6.338 1.273 1.00 1.23 C ATOM 695 CD1 LEU A 63 -10.963 6.935 0.010 1.00 1.57 C ATOM 696 CD2 LEU A 63 -12.295 5.045 0.957 1.00 1.89 C ATOM 0 H LEU A 63 -9.430 6.095 4.602 1.00 0.68 H new ATOM 0 HA LEU A 63 -9.117 7.769 2.357 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -9.649 5.560 1.870 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -10.882 5.460 3.111 1.00 0.85 H new ATOM 0 HG LEU A 63 -12.274 7.050 1.681 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -11.753 7.091 -0.725 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -10.493 7.890 0.245 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -10.217 6.254 -0.398 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -13.059 5.237 0.203 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -11.589 4.306 0.578 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -12.767 4.665 1.863 1.00 1.89 H new ATOM 708 N LYS A 64 -11.740 8.369 4.237 1.00 0.89 N ATOM 709 CA LYS A 64 -12.774 9.358 4.513 1.00 1.05 C ATOM 710 C LYS A 64 -12.140 10.731 4.723 1.00 1.03 C ATOM 711 O LYS A 64 -12.771 11.765 4.512 1.00 1.13 O ATOM 712 CB LYS A 64 -13.580 8.952 5.748 1.00 1.22 C ATOM 713 CG LYS A 64 -14.821 9.798 5.977 1.00 1.64 C ATOM 714 CD LYS A 64 -15.530 9.407 7.262 1.00 2.17 C ATOM 715 CE LYS A 64 -16.827 10.177 7.442 1.00 2.87 C ATOM 716 NZ LYS A 64 -17.814 9.868 6.374 1.00 3.41 N ATOM 0 H LYS A 64 -11.645 7.646 4.950 1.00 0.89 H new ATOM 0 HA LYS A 64 -13.450 9.409 3.659 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -13.877 7.908 5.649 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -12.939 9.019 6.627 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -14.542 10.851 6.019 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -15.502 9.682 5.134 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -15.740 8.337 7.251 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -14.874 9.595 8.112 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -17.258 9.937 8.414 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -16.616 11.246 7.442 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -18.755 10.204 6.663 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -17.532 10.343 5.493 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -17.847 8.840 6.218 1.00 3.41 H new ATOM 730 N SER A 65 -10.876 10.726 5.122 1.00 0.97 N ATOM 731 CA SER A 65 -10.144 11.956 5.373 1.00 1.06 C ATOM 732 C SER A 65 -9.552 12.517 4.079 1.00 1.03 C ATOM 733 O SER A 65 -9.331 13.723 3.964 1.00 1.13 O ATOM 734 CB SER A 65 -9.038 11.696 6.394 1.00 1.18 C ATOM 735 OG SER A 65 -9.558 11.049 7.548 1.00 1.65 O ATOM 0 H SER A 65 -10.334 9.876 5.279 1.00 0.97 H new ATOM 0 HA SER A 65 -10.837 12.697 5.772 1.00 1.06 H new ATOM 0 HB2 SER A 65 -8.260 11.078 5.945 1.00 1.18 H new ATOM 0 HB3 SER A 65 -8.571 12.639 6.679 1.00 1.18 H new ATOM 0 HG SER A 65 -9.815 10.131 7.321 1.00 1.65 H new ATOM 741 N LEU A 66 -9.289 11.642 3.109 1.00 0.97 N ATOM 742 CA LEU A 66 -8.751 12.079 1.822 1.00 1.05 C ATOM 743 C LEU A 66 -9.800 12.842 1.023 1.00 1.20 C ATOM 744 O LEU A 66 -9.508 13.892 0.453 1.00 1.55 O ATOM 745 CB LEU A 66 -8.249 10.883 0.998 1.00 1.00 C ATOM 746 CG LEU A 66 -6.782 10.476 1.209 1.00 1.09 C ATOM 747 CD1 LEU A 66 -5.842 11.592 0.786 1.00 1.72 C ATOM 748 CD2 LEU A 66 -6.523 10.088 2.653 1.00 1.38 C ATOM 0 H LEU A 66 -9.438 10.636 3.188 1.00 0.97 H new ATOM 0 HA LEU A 66 -7.911 12.742 2.029 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -8.878 10.023 1.226 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -8.392 11.112 -0.058 1.00 1.00 H new ATOM 0 HG LEU A 66 -6.589 9.606 0.582 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -4.810 11.279 0.945 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -5.994 11.815 -0.270 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -6.046 12.484 1.379 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -5.477 9.805 2.772 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -6.746 10.934 3.303 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -7.160 9.246 2.923 1.00 1.38 H new ATOM 760 N GLY A 67 -11.025 12.329 1.017 1.00 1.07 N ATOM 761 CA GLY A 67 -12.112 12.999 0.324 1.00 1.26 C ATOM 762 C GLY A 67 -12.196 12.618 -1.146 1.00 1.22 C ATOM 763 O GLY A 67 -12.687 11.536 -1.473 1.00 1.28 O ATOM 0 H GLY A 67 -11.286 11.459 1.481 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -13.055 12.754 0.813 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -11.981 14.078 0.408 1.00 1.26 H new ATOM 767 N PRO A 68 -11.750 13.510 -2.053 1.00 1.24 N ATOM 768 CA PRO A 68 -11.699 13.249 -3.504 1.00 1.29 C ATOM 769 C PRO A 68 -11.063 11.905 -3.861 1.00 1.15 C ATOM 770 O PRO A 68 -10.305 11.337 -3.073 1.00 0.99 O ATOM 771 CB PRO A 68 -10.817 14.382 -4.020 1.00 1.41 C ATOM 772 CG PRO A 68 -11.072 15.506 -3.084 1.00 1.56 C ATOM 773 CD PRO A 68 -11.283 14.875 -1.735 1.00 1.35 C ATOM 0 HA PRO A 68 -12.700 13.207 -3.934 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -9.765 14.097 -4.021 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -11.075 14.652 -5.044 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -10.230 16.198 -3.065 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -11.948 16.078 -3.389 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -10.361 14.857 -1.153 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -12.020 15.423 -1.148 1.00 1.35 H new ATOM 781 N PRO A 69 -11.388 11.383 -5.065 1.00 1.30 N ATOM 782 CA PRO A 69 -10.810 10.141 -5.594 1.00 1.26 C ATOM 783 C PRO A 69 -9.303 10.065 -5.379 1.00 1.05 C ATOM 784 O PRO A 69 -8.532 10.813 -5.983 1.00 1.17 O ATOM 785 CB PRO A 69 -11.134 10.229 -7.094 1.00 1.53 C ATOM 786 CG PRO A 69 -12.422 10.974 -7.139 1.00 1.89 C ATOM 787 CD PRO A 69 -12.370 11.965 -6.002 1.00 1.58 C ATOM 0 HA PRO A 69 -11.209 9.255 -5.101 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -10.350 10.752 -7.642 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -11.229 9.239 -7.541 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -12.545 11.483 -8.095 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -13.269 10.297 -7.028 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -12.058 12.951 -6.346 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -13.346 12.086 -5.533 1.00 1.58 H new ATOM 795 N VAL A 70 -8.898 9.161 -4.508 1.00 0.85 N ATOM 796 CA VAL A 70 -7.502 9.010 -4.132 1.00 0.67 C ATOM 797 C VAL A 70 -6.920 7.737 -4.751 1.00 0.60 C ATOM 798 O VAL A 70 -7.603 6.718 -4.851 1.00 0.66 O ATOM 799 CB VAL A 70 -7.365 8.975 -2.581 1.00 0.62 C ATOM 800 CG1 VAL A 70 -8.307 7.949 -1.981 1.00 0.99 C ATOM 801 CG2 VAL A 70 -5.936 8.684 -2.156 1.00 1.08 C ATOM 0 H VAL A 70 -9.527 8.509 -4.039 1.00 0.85 H new ATOM 0 HA VAL A 70 -6.942 9.865 -4.511 1.00 0.67 H new ATOM 0 HB VAL A 70 -7.635 9.962 -2.207 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -8.194 7.942 -0.897 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -9.335 8.205 -2.237 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -8.070 6.962 -2.377 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -5.876 8.667 -1.068 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -5.629 7.716 -2.552 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -5.276 9.460 -2.543 1.00 1.08 H new ATOM 811 N LYS A 71 -5.665 7.806 -5.179 1.00 0.55 N ATOM 812 CA LYS A 71 -5.009 6.662 -5.797 1.00 0.54 C ATOM 813 C LYS A 71 -4.569 5.674 -4.729 1.00 0.43 C ATOM 814 O LYS A 71 -3.929 6.054 -3.748 1.00 0.41 O ATOM 815 CB LYS A 71 -3.794 7.110 -6.606 1.00 0.65 C ATOM 816 CG LYS A 71 -4.125 8.076 -7.729 1.00 1.27 C ATOM 817 CD LYS A 71 -2.862 8.596 -8.393 1.00 1.74 C ATOM 818 CE LYS A 71 -3.181 9.563 -9.517 1.00 2.14 C ATOM 819 NZ LYS A 71 -1.950 10.183 -10.074 1.00 2.53 N ATOM 0 H LYS A 71 -5.083 8.641 -5.109 1.00 0.55 H new ATOM 0 HA LYS A 71 -5.721 6.181 -6.467 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -3.076 7.581 -5.934 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -3.306 6.231 -7.028 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -4.750 7.577 -8.470 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -4.703 8.912 -7.335 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -2.238 9.093 -7.650 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -2.285 7.759 -8.785 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -3.714 9.037 -10.309 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -3.847 10.343 -9.148 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -2.207 10.838 -10.840 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -1.454 10.705 -9.324 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -1.326 9.440 -10.449 1.00 2.53 H new ATOM 833 N ILE A 72 -4.915 4.412 -4.920 1.00 0.45 N ATOM 834 CA ILE A 72 -4.596 3.382 -3.947 1.00 0.43 C ATOM 835 C ILE A 72 -3.386 2.581 -4.416 1.00 0.41 C ATOM 836 O ILE A 72 -3.501 1.684 -5.257 1.00 0.50 O ATOM 837 CB ILE A 72 -5.782 2.416 -3.709 1.00 0.54 C ATOM 838 CG1 ILE A 72 -7.116 3.177 -3.644 1.00 0.68 C ATOM 839 CG2 ILE A 72 -5.565 1.624 -2.425 1.00 0.58 C ATOM 840 CD1 ILE A 72 -7.198 4.198 -2.529 1.00 1.00 C ATOM 0 H ILE A 72 -5.418 4.076 -5.742 1.00 0.45 H new ATOM 0 HA ILE A 72 -4.376 3.885 -3.005 1.00 0.43 H new ATOM 0 HB ILE A 72 -5.829 1.725 -4.551 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -7.279 3.682 -4.596 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -7.926 2.457 -3.522 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -6.406 0.948 -2.268 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -4.644 1.046 -2.505 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -5.490 2.311 -1.582 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -8.171 4.688 -2.556 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -7.069 3.699 -1.569 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -6.413 4.943 -2.659 1.00 1.00 H new ATOM 852 N LEU A 73 -2.228 2.916 -3.875 1.00 0.37 N ATOM 853 CA LEU A 73 -0.988 2.258 -4.248 1.00 0.37 C ATOM 854 C LEU A 73 -0.698 1.154 -3.238 1.00 0.37 C ATOM 855 O LEU A 73 -0.362 1.432 -2.086 1.00 0.46 O ATOM 856 CB LEU A 73 0.162 3.278 -4.257 1.00 0.43 C ATOM 857 CG LEU A 73 1.382 2.982 -5.166 1.00 0.57 C ATOM 858 CD1 LEU A 73 2.602 3.755 -4.683 1.00 1.06 C ATOM 859 CD2 LEU A 73 1.720 1.498 -5.246 1.00 1.22 C ATOM 0 H LEU A 73 -2.120 3.646 -3.170 1.00 0.37 H new ATOM 0 HA LEU A 73 -1.080 1.830 -5.246 1.00 0.37 H new ATOM 0 HB2 LEU A 73 -0.249 4.244 -4.551 1.00 0.43 H new ATOM 0 HB3 LEU A 73 0.524 3.384 -3.234 1.00 0.43 H new ATOM 0 HG LEU A 73 1.104 3.306 -6.169 1.00 0.57 H new ATOM 0 HD11 LEU A 73 3.451 3.537 -5.331 1.00 1.06 H new ATOM 0 HD12 LEU A 73 2.390 4.824 -4.710 1.00 1.06 H new ATOM 0 HD13 LEU A 73 2.840 3.458 -3.662 1.00 1.06 H new ATOM 0 HD21 LEU A 73 2.583 1.356 -5.897 1.00 1.22 H new ATOM 0 HD22 LEU A 73 1.952 1.123 -4.249 1.00 1.22 H new ATOM 0 HD23 LEU A 73 0.867 0.952 -5.649 1.00 1.22 H new ATOM 871 N VAL A 74 -0.834 -0.092 -3.657 1.00 0.40 N ATOM 872 CA VAL A 74 -0.596 -1.201 -2.746 1.00 0.40 C ATOM 873 C VAL A 74 0.633 -2.000 -3.171 1.00 0.39 C ATOM 874 O VAL A 74 0.863 -2.240 -4.359 1.00 0.47 O ATOM 875 CB VAL A 74 -1.833 -2.136 -2.595 1.00 0.48 C ATOM 876 CG1 VAL A 74 -3.125 -1.334 -2.602 1.00 1.30 C ATOM 877 CG2 VAL A 74 -1.881 -3.235 -3.640 1.00 1.16 C ATOM 0 H VAL A 74 -1.103 -0.360 -4.604 1.00 0.40 H new ATOM 0 HA VAL A 74 -0.411 -0.762 -1.765 1.00 0.40 H new ATOM 0 HB VAL A 74 -1.726 -2.629 -1.629 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -3.973 -2.010 -2.495 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -3.118 -0.626 -1.773 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -3.211 -0.790 -3.543 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -2.766 -3.851 -3.480 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -1.924 -2.790 -4.634 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -0.988 -3.854 -3.558 1.00 1.16 H new ATOM 887 N LEU A 75 1.433 -2.388 -2.194 1.00 0.38 N ATOM 888 CA LEU A 75 2.625 -3.180 -2.451 1.00 0.38 C ATOM 889 C LEU A 75 2.502 -4.507 -1.728 1.00 0.35 C ATOM 890 O LEU A 75 2.083 -4.558 -0.569 1.00 0.43 O ATOM 891 CB LEU A 75 3.914 -2.465 -2.006 1.00 0.48 C ATOM 892 CG LEU A 75 4.451 -1.348 -2.923 1.00 0.80 C ATOM 893 CD1 LEU A 75 4.351 -1.745 -4.387 1.00 1.67 C ATOM 894 CD2 LEU A 75 3.748 -0.020 -2.670 1.00 1.65 C ATOM 0 H LEU A 75 1.279 -2.167 -1.210 1.00 0.38 H new ATOM 0 HA LEU A 75 2.698 -3.333 -3.528 1.00 0.38 H new ATOM 0 HB2 LEU A 75 3.740 -2.037 -1.019 1.00 0.48 H new ATOM 0 HB3 LEU A 75 4.696 -3.216 -1.895 1.00 0.48 H new ATOM 0 HG LEU A 75 5.505 -1.211 -2.680 1.00 0.80 H new ATOM 0 HD11 LEU A 75 4.737 -0.938 -5.010 1.00 1.67 H new ATOM 0 HD12 LEU A 75 4.936 -2.648 -4.560 1.00 1.67 H new ATOM 0 HD13 LEU A 75 3.308 -1.934 -4.642 1.00 1.67 H new ATOM 0 HD21 LEU A 75 4.156 0.740 -3.336 1.00 1.65 H new ATOM 0 HD22 LEU A 75 2.680 -0.132 -2.858 1.00 1.65 H new ATOM 0 HD23 LEU A 75 3.905 0.283 -1.635 1.00 1.65 H new ATOM 906 N LEU A 76 2.854 -5.576 -2.411 1.00 0.34 N ATOM 907 CA LEU A 76 2.699 -6.908 -1.861 1.00 0.42 C ATOM 908 C LEU A 76 3.983 -7.705 -2.032 1.00 0.41 C ATOM 909 O LEU A 76 4.673 -7.564 -3.034 1.00 0.48 O ATOM 910 CB LEU A 76 1.534 -7.617 -2.563 1.00 0.55 C ATOM 911 CG LEU A 76 1.172 -8.996 -2.011 1.00 1.09 C ATOM 912 CD1 LEU A 76 0.713 -8.885 -0.568 1.00 1.52 C ATOM 913 CD2 LEU A 76 0.093 -9.643 -2.867 1.00 1.76 C ATOM 0 H LEU A 76 3.250 -5.549 -3.350 1.00 0.34 H new ATOM 0 HA LEU A 76 2.484 -6.832 -0.795 1.00 0.42 H new ATOM 0 HB2 LEU A 76 0.653 -6.978 -2.502 1.00 0.55 H new ATOM 0 HB3 LEU A 76 1.779 -7.721 -3.620 1.00 0.55 H new ATOM 0 HG LEU A 76 2.060 -9.627 -2.042 1.00 1.09 H new ATOM 0 HD11 LEU A 76 0.459 -9.875 -0.190 1.00 1.52 H new ATOM 0 HD12 LEU A 76 1.514 -8.460 0.037 1.00 1.52 H new ATOM 0 HD13 LEU A 76 -0.164 -8.240 -0.514 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -0.154 -10.624 -2.461 1.00 1.76 H new ATOM 0 HD22 LEU A 76 -0.798 -9.015 -2.865 1.00 1.76 H new ATOM 0 HD23 LEU A 76 0.457 -9.754 -3.888 1.00 1.76 H new ATOM 925 N GLU A 77 4.313 -8.515 -1.045 1.00 0.46 N ATOM 926 CA GLU A 77 5.443 -9.423 -1.156 1.00 0.49 C ATOM 927 C GLU A 77 4.944 -10.795 -1.587 1.00 0.49 C ATOM 928 O GLU A 77 4.028 -11.347 -0.971 1.00 0.59 O ATOM 929 CB GLU A 77 6.185 -9.521 0.178 1.00 0.61 C ATOM 930 CG GLU A 77 7.310 -10.543 0.181 1.00 0.63 C ATOM 931 CD GLU A 77 8.054 -10.591 1.498 1.00 1.04 C ATOM 932 OE1 GLU A 77 9.297 -10.707 1.477 1.00 1.71 O ATOM 933 OE2 GLU A 77 7.400 -10.522 2.560 1.00 1.74 O ATOM 0 H GLU A 77 3.816 -8.565 -0.156 1.00 0.46 H new ATOM 0 HA GLU A 77 6.139 -9.040 -1.903 1.00 0.49 H new ATOM 0 HB2 GLU A 77 6.595 -8.542 0.428 1.00 0.61 H new ATOM 0 HB3 GLU A 77 5.472 -9.777 0.962 1.00 0.61 H new ATOM 0 HG2 GLU A 77 6.900 -11.529 -0.036 1.00 0.63 H new ATOM 0 HG3 GLU A 77 8.012 -10.307 -0.619 1.00 0.63 H new ATOM 940 N ASP A 78 5.529 -11.343 -2.644 1.00 0.54 N ATOM 941 CA ASP A 78 5.084 -12.630 -3.164 1.00 0.61 C ATOM 942 C ASP A 78 5.528 -13.763 -2.245 1.00 0.63 C ATOM 943 O ASP A 78 6.600 -14.342 -2.412 1.00 0.72 O ATOM 944 CB ASP A 78 5.625 -12.863 -4.579 1.00 0.77 C ATOM 945 CG ASP A 78 5.100 -14.145 -5.205 1.00 1.06 C ATOM 946 OD1 ASP A 78 4.070 -14.090 -5.909 1.00 1.59 O ATOM 947 OD2 ASP A 78 5.717 -15.214 -5.007 1.00 1.85 O ATOM 0 H ASP A 78 6.305 -10.922 -3.154 1.00 0.54 H new ATOM 0 HA ASP A 78 3.995 -12.616 -3.206 1.00 0.61 H new ATOM 0 HB2 ASP A 78 5.354 -12.017 -5.211 1.00 0.77 H new ATOM 0 HB3 ASP A 78 6.714 -12.899 -4.546 1.00 0.77 H new ATOM 952 N THR A 79 4.708 -14.036 -1.247 1.00 0.61 N ATOM 953 CA THR A 79 4.876 -15.201 -0.405 1.00 0.72 C ATOM 954 C THR A 79 3.709 -16.157 -0.654 1.00 0.78 C ATOM 955 O THR A 79 2.889 -15.898 -1.535 1.00 0.84 O ATOM 956 CB THR A 79 4.933 -14.797 1.083 1.00 0.77 C ATOM 957 OG1 THR A 79 5.460 -13.468 1.200 1.00 1.04 O ATOM 958 CG2 THR A 79 5.816 -15.747 1.876 1.00 1.20 C ATOM 0 H THR A 79 3.907 -13.455 -0.999 1.00 0.61 H new ATOM 0 HA THR A 79 5.817 -15.694 -0.650 1.00 0.72 H new ATOM 0 HB THR A 79 3.921 -14.841 1.484 1.00 0.77 H new ATOM 0 HG1 THR A 79 5.494 -13.212 2.145 1.00 1.04 H new ATOM 0 HG21 THR A 79 5.837 -15.437 2.921 1.00 1.20 H new ATOM 0 HG22 THR A 79 5.417 -16.759 1.805 1.00 1.20 H new ATOM 0 HG23 THR A 79 6.828 -15.727 1.471 1.00 1.20 H new ATOM 966 N LYS A 80 3.606 -17.239 0.100 1.00 0.84 N ATOM 967 CA LYS A 80 2.443 -18.112 -0.015 1.00 0.92 C ATOM 968 C LYS A 80 1.211 -17.385 0.508 1.00 0.88 C ATOM 969 O LYS A 80 0.103 -17.542 -0.011 1.00 0.90 O ATOM 970 CB LYS A 80 2.666 -19.415 0.751 1.00 1.09 C ATOM 971 CG LYS A 80 3.913 -20.163 0.308 1.00 1.65 C ATOM 972 CD LYS A 80 3.833 -20.563 -1.158 1.00 2.05 C ATOM 973 CE LYS A 80 5.064 -21.340 -1.600 1.00 3.00 C ATOM 974 NZ LYS A 80 5.195 -22.632 -0.880 1.00 3.57 N ATOM 0 H LYS A 80 4.299 -17.533 0.788 1.00 0.84 H new ATOM 0 HA LYS A 80 2.290 -18.365 -1.064 1.00 0.92 H new ATOM 0 HB2 LYS A 80 2.741 -19.195 1.816 1.00 1.09 H new ATOM 0 HB3 LYS A 80 1.797 -20.060 0.619 1.00 1.09 H new ATOM 0 HG2 LYS A 80 4.790 -19.536 0.468 1.00 1.65 H new ATOM 0 HG3 LYS A 80 4.042 -21.054 0.923 1.00 1.65 H new ATOM 0 HD2 LYS A 80 2.942 -21.170 -1.321 1.00 2.05 H new ATOM 0 HD3 LYS A 80 3.727 -19.669 -1.773 1.00 2.05 H new ATOM 0 HE2 LYS A 80 5.009 -21.527 -2.672 1.00 3.00 H new ATOM 0 HE3 LYS A 80 5.955 -20.737 -1.427 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 5.918 -23.217 -1.345 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 5.475 -22.453 0.105 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 4.283 -23.132 -0.895 1.00 3.57 H new ATOM 988 N ASP A 81 1.431 -16.561 1.524 1.00 0.90 N ATOM 989 CA ASP A 81 0.385 -15.717 2.096 1.00 0.93 C ATOM 990 C ASP A 81 -0.145 -14.720 1.072 1.00 0.83 C ATOM 991 O ASP A 81 -1.273 -14.247 1.185 1.00 0.82 O ATOM 992 CB ASP A 81 0.920 -14.955 3.308 1.00 1.08 C ATOM 993 CG ASP A 81 1.212 -15.853 4.488 1.00 1.46 C ATOM 994 OD1 ASP A 81 2.183 -16.628 4.424 1.00 2.24 O ATOM 995 OD2 ASP A 81 0.474 -15.780 5.491 1.00 2.00 O ATOM 0 H ASP A 81 2.339 -16.457 1.976 1.00 0.90 H new ATOM 0 HA ASP A 81 -0.432 -16.370 2.403 1.00 0.93 H new ATOM 0 HB2 ASP A 81 1.831 -14.428 3.026 1.00 1.08 H new ATOM 0 HB3 ASP A 81 0.193 -14.199 3.605 1.00 1.08 H new ATOM 1000 N ALA A 82 0.674 -14.402 0.076 1.00 0.82 N ATOM 1001 CA ALA A 82 0.304 -13.424 -0.942 1.00 0.82 C ATOM 1002 C ALA A 82 -0.908 -13.882 -1.746 1.00 0.82 C ATOM 1003 O ALA A 82 -1.586 -13.070 -2.373 1.00 0.84 O ATOM 1004 CB ALA A 82 1.475 -13.147 -1.869 1.00 0.97 C ATOM 0 H ALA A 82 1.601 -14.808 -0.049 1.00 0.82 H new ATOM 0 HA ALA A 82 0.035 -12.502 -0.427 1.00 0.82 H new ATOM 0 HB1 ALA A 82 1.179 -12.415 -2.621 1.00 0.97 H new ATOM 0 HB2 ALA A 82 2.312 -12.755 -1.291 1.00 0.97 H new ATOM 0 HB3 ALA A 82 1.776 -14.072 -2.361 1.00 0.97 H new ATOM 1010 N ASP A 83 -1.178 -15.184 -1.729 1.00 0.91 N ATOM 1011 CA ASP A 83 -2.320 -15.726 -2.461 1.00 1.03 C ATOM 1012 C ASP A 83 -3.633 -15.397 -1.749 1.00 0.98 C ATOM 1013 O ASP A 83 -4.617 -15.034 -2.389 1.00 1.03 O ATOM 1014 CB ASP A 83 -2.179 -17.242 -2.660 1.00 1.27 C ATOM 1015 CG ASP A 83 -3.350 -17.840 -3.415 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -3.421 -17.657 -4.650 1.00 2.22 O ATOM 1017 OD2 ASP A 83 -4.191 -18.515 -2.783 1.00 2.33 O ATOM 0 H ASP A 83 -0.628 -15.878 -1.222 1.00 0.91 H new ATOM 0 HA ASP A 83 -2.338 -15.255 -3.444 1.00 1.03 H new ATOM 0 HB2 ASP A 83 -1.257 -17.450 -3.203 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -2.092 -17.726 -1.687 1.00 1.27 H new ATOM 1022 N LYS A 84 -3.635 -15.488 -0.420 1.00 0.96 N ATOM 1023 CA LYS A 84 -4.843 -15.216 0.352 1.00 1.04 C ATOM 1024 C LYS A 84 -5.065 -13.720 0.521 1.00 0.94 C ATOM 1025 O LYS A 84 -6.170 -13.227 0.303 1.00 1.04 O ATOM 1026 CB LYS A 84 -4.799 -15.891 1.732 1.00 1.17 C ATOM 1027 CG LYS A 84 -3.436 -15.839 2.409 1.00 1.67 C ATOM 1028 CD LYS A 84 -3.497 -16.248 3.875 1.00 2.01 C ATOM 1029 CE LYS A 84 -4.277 -15.241 4.707 1.00 2.47 C ATOM 1030 NZ LYS A 84 -4.147 -15.494 6.167 1.00 3.21 N ATOM 0 H LYS A 84 -2.821 -15.745 0.139 1.00 0.96 H new ATOM 0 HA LYS A 84 -5.677 -15.635 -0.211 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -5.533 -15.414 2.381 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -5.099 -16.933 1.624 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -2.746 -16.496 1.880 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -3.035 -14.828 2.333 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -3.963 -17.230 3.960 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -2.485 -16.340 4.270 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -3.923 -14.235 4.482 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -5.330 -15.279 4.426 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -4.695 -14.783 6.693 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -4.509 -16.444 6.388 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -3.146 -15.432 6.442 1.00 3.21 H new ATOM 1044 N VAL A 85 -4.011 -12.996 0.887 1.00 0.80 N ATOM 1045 CA VAL A 85 -4.137 -11.575 1.184 1.00 0.77 C ATOM 1046 C VAL A 85 -4.559 -10.784 -0.058 1.00 0.68 C ATOM 1047 O VAL A 85 -5.334 -9.836 0.047 1.00 0.75 O ATOM 1048 CB VAL A 85 -2.834 -10.995 1.787 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -1.676 -11.103 0.812 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -3.035 -9.553 2.229 1.00 1.16 C ATOM 0 H VAL A 85 -3.066 -13.368 0.984 1.00 0.80 H new ATOM 0 HA VAL A 85 -4.921 -11.474 1.935 1.00 0.77 H new ATOM 0 HB VAL A 85 -2.584 -11.590 2.666 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -0.777 -10.687 1.267 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -1.505 -12.151 0.564 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -1.912 -10.549 -0.097 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -2.106 -9.168 2.649 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -3.324 -8.946 1.371 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -3.820 -9.510 2.984 1.00 1.16 H new ATOM 1060 N LYS A 86 -4.079 -11.194 -1.232 1.00 0.60 N ATOM 1061 CA LYS A 86 -4.493 -10.557 -2.477 1.00 0.59 C ATOM 1062 C LYS A 86 -5.997 -10.702 -2.660 1.00 0.69 C ATOM 1063 O LYS A 86 -6.691 -9.725 -2.915 1.00 0.78 O ATOM 1064 CB LYS A 86 -3.759 -11.161 -3.679 1.00 0.62 C ATOM 1065 CG LYS A 86 -4.274 -10.659 -5.023 1.00 0.79 C ATOM 1066 CD LYS A 86 -3.491 -11.254 -6.180 1.00 1.07 C ATOM 1067 CE LYS A 86 -4.130 -10.931 -7.526 1.00 1.57 C ATOM 1068 NZ LYS A 86 -4.245 -9.466 -7.771 1.00 2.30 N ATOM 0 H LYS A 86 -3.410 -11.956 -1.345 1.00 0.60 H new ATOM 0 HA LYS A 86 -4.236 -9.499 -2.419 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -2.696 -10.932 -3.598 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -3.855 -12.246 -3.645 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -5.329 -10.914 -5.127 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -4.204 -9.572 -5.057 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -2.470 -10.872 -6.162 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -3.429 -12.335 -6.058 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -3.539 -11.383 -8.322 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -5.122 -11.382 -7.570 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -4.459 -9.298 -8.775 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -5.009 -9.075 -7.184 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -3.347 -9.002 -7.526 1.00 2.30 H new ATOM 1082 N LYS A 87 -6.491 -11.924 -2.498 1.00 0.75 N ATOM 1083 CA LYS A 87 -7.913 -12.202 -2.641 1.00 0.89 C ATOM 1084 C LYS A 87 -8.728 -11.425 -1.614 1.00 0.88 C ATOM 1085 O LYS A 87 -9.682 -10.731 -1.962 1.00 0.93 O ATOM 1086 CB LYS A 87 -8.186 -13.695 -2.473 1.00 1.06 C ATOM 1087 CG LYS A 87 -7.628 -14.561 -3.591 1.00 1.85 C ATOM 1088 CD LYS A 87 -7.832 -16.040 -3.296 1.00 2.29 C ATOM 1089 CE LYS A 87 -9.297 -16.363 -3.043 1.00 3.21 C ATOM 1090 NZ LYS A 87 -9.508 -17.796 -2.715 1.00 3.93 N ATOM 0 H LYS A 87 -5.924 -12.740 -2.267 1.00 0.75 H new ATOM 0 HA LYS A 87 -8.211 -11.888 -3.641 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -7.761 -14.026 -1.526 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -9.263 -13.851 -2.411 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -8.116 -14.304 -4.531 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -6.565 -14.356 -3.717 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -7.468 -16.633 -4.135 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -7.241 -16.323 -2.425 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -9.667 -15.746 -2.224 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -9.882 -16.104 -3.926 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -10.520 -17.969 -2.551 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -9.180 -18.385 -3.507 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -8.972 -18.038 -1.858 1.00 3.93 H new ATOM 1104 N GLU A 88 -8.325 -11.525 -0.354 1.00 0.90 N ATOM 1105 CA GLU A 88 -9.089 -10.955 0.744 1.00 0.98 C ATOM 1106 C GLU A 88 -9.174 -9.439 0.632 1.00 0.96 C ATOM 1107 O GLU A 88 -10.256 -8.861 0.751 1.00 1.02 O ATOM 1108 CB GLU A 88 -8.471 -11.348 2.088 1.00 1.06 C ATOM 1109 CG GLU A 88 -8.501 -12.844 2.360 1.00 1.16 C ATOM 1110 CD GLU A 88 -8.126 -13.177 3.785 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -7.059 -13.791 4.002 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -8.901 -12.833 4.699 1.00 2.58 O ATOM 0 H GLU A 88 -7.468 -11.999 -0.068 1.00 0.90 H new ATOM 0 HA GLU A 88 -10.101 -11.357 0.687 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -7.438 -11.003 2.118 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -9.002 -10.832 2.887 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -9.499 -13.229 2.150 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -7.815 -13.348 1.679 1.00 1.16 H new ATOM 1119 N ILE A 89 -8.039 -8.806 0.382 1.00 0.91 N ATOM 1120 CA ILE A 89 -7.976 -7.353 0.286 1.00 0.93 C ATOM 1121 C ILE A 89 -8.648 -6.857 -0.991 1.00 0.87 C ATOM 1122 O ILE A 89 -9.295 -5.811 -0.994 1.00 0.91 O ATOM 1123 CB ILE A 89 -6.514 -6.851 0.342 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -5.875 -7.212 1.687 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -6.443 -5.350 0.105 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -6.628 -6.677 2.887 1.00 1.17 C ATOM 0 H ILE A 89 -7.145 -9.276 0.241 1.00 0.91 H new ATOM 0 HA ILE A 89 -8.514 -6.948 1.143 1.00 0.93 H new ATOM 0 HB ILE A 89 -5.956 -7.345 -0.453 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -5.808 -8.297 1.767 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -4.855 -6.827 1.709 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -5.404 -5.023 0.150 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -6.855 -5.117 -0.877 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -7.019 -4.833 0.872 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -6.114 -6.974 3.801 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -6.673 -5.589 2.833 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -7.640 -7.082 2.892 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.528 -7.628 -2.063 1.00 0.81 N ATOM 1139 CA GLU A 90 -9.108 -7.230 -3.349 1.00 0.79 C ATOM 1140 C GLU A 90 -10.631 -7.214 -3.256 1.00 0.79 C ATOM 1141 O GLU A 90 -11.284 -6.310 -3.778 1.00 0.79 O ATOM 1142 CB GLU A 90 -8.645 -8.155 -4.488 1.00 0.83 C ATOM 1143 CG GLU A 90 -9.349 -7.912 -5.811 1.00 1.35 C ATOM 1144 CD GLU A 90 -8.885 -8.867 -6.889 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -9.592 -9.866 -7.150 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -7.804 -8.636 -7.471 1.00 2.08 O ATOM 0 H GLU A 90 -8.041 -8.524 -2.074 1.00 0.81 H new ATOM 0 HA GLU A 90 -8.756 -6.224 -3.580 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -7.572 -8.028 -4.631 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -8.806 -9.191 -4.188 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -10.425 -8.018 -5.673 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -9.168 -6.887 -6.134 1.00 1.35 H new ATOM 1153 N LYS A 91 -11.191 -8.205 -2.568 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.633 -8.265 -2.356 1.00 0.93 C ATOM 1155 C LYS A 91 -13.091 -7.097 -1.489 1.00 0.96 C ATOM 1156 O LYS A 91 -14.140 -6.498 -1.738 1.00 0.97 O ATOM 1157 CB LYS A 91 -13.033 -9.585 -1.691 1.00 1.11 C ATOM 1158 CG LYS A 91 -12.664 -10.821 -2.495 1.00 1.66 C ATOM 1159 CD LYS A 91 -13.353 -10.845 -3.849 1.00 1.93 C ATOM 1160 CE LYS A 91 -13.067 -12.143 -4.587 1.00 2.60 C ATOM 1161 NZ LYS A 91 -13.546 -13.329 -3.826 1.00 3.12 N ATOM 0 H LYS A 91 -10.670 -8.975 -2.149 1.00 0.85 H new ATOM 0 HA LYS A 91 -13.118 -8.202 -3.330 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -12.557 -9.646 -0.712 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -14.110 -9.583 -1.522 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -11.584 -10.852 -2.637 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -12.937 -11.714 -1.933 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -14.428 -10.729 -3.715 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -13.013 -10.000 -4.448 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -13.549 -12.119 -5.564 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -11.995 -12.233 -4.763 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -13.634 -14.142 -4.469 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -12.866 -13.555 -3.072 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -14.473 -13.120 -3.404 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.289 -6.779 -0.480 1.00 1.03 N ATOM 1176 CA LYS A 92 -12.589 -5.685 0.436 1.00 1.17 C ATOM 1177 C LYS A 92 -12.506 -4.339 -0.269 1.00 1.08 C ATOM 1178 O LYS A 92 -13.378 -3.484 -0.101 1.00 1.15 O ATOM 1179 CB LYS A 92 -11.623 -5.709 1.622 1.00 1.37 C ATOM 1180 CG LYS A 92 -11.880 -6.841 2.602 1.00 1.59 C ATOM 1181 CD LYS A 92 -10.791 -6.916 3.660 1.00 1.81 C ATOM 1182 CE LYS A 92 -11.147 -7.902 4.758 1.00 2.18 C ATOM 1183 NZ LYS A 92 -12.247 -7.395 5.620 1.00 2.41 N ATOM 0 H LYS A 92 -11.418 -7.268 -0.274 1.00 1.03 H new ATOM 0 HA LYS A 92 -13.608 -5.820 0.798 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -10.603 -5.792 1.246 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -11.691 -4.759 2.153 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -12.847 -6.695 3.083 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -11.931 -7.787 2.063 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -9.851 -7.212 3.195 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -10.635 -5.928 4.094 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -11.443 -8.851 4.312 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -10.267 -8.098 5.370 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -12.599 -8.166 6.223 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -11.891 -6.622 6.218 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -13.021 -7.042 5.023 1.00 2.41 H new ATOM 1197 N ALA A 93 -11.454 -4.145 -1.047 1.00 0.98 N ATOM 1198 CA ALA A 93 -11.275 -2.908 -1.787 1.00 0.99 C ATOM 1199 C ALA A 93 -12.376 -2.745 -2.826 1.00 0.90 C ATOM 1200 O ALA A 93 -12.910 -1.653 -3.017 1.00 0.98 O ATOM 1201 CB ALA A 93 -9.909 -2.880 -2.449 1.00 1.01 C ATOM 0 H ALA A 93 -10.710 -4.830 -1.182 1.00 0.98 H new ATOM 0 HA ALA A 93 -11.336 -2.074 -1.088 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -9.791 -1.947 -2.999 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -9.134 -2.952 -1.686 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -9.821 -3.721 -3.137 1.00 1.01 H new ATOM 1207 N ARG A 94 -12.715 -3.846 -3.482 1.00 0.82 N ATOM 1208 CA ARG A 94 -13.795 -3.870 -4.464 1.00 0.85 C ATOM 1209 C ARG A 94 -15.112 -3.449 -3.819 1.00 0.86 C ATOM 1210 O ARG A 94 -15.856 -2.639 -4.372 1.00 0.92 O ATOM 1211 CB ARG A 94 -13.924 -5.277 -5.053 1.00 0.93 C ATOM 1212 CG ARG A 94 -14.914 -5.390 -6.199 1.00 1.31 C ATOM 1213 CD ARG A 94 -14.937 -6.806 -6.746 1.00 1.63 C ATOM 1214 NE ARG A 94 -15.868 -6.961 -7.859 1.00 2.21 N ATOM 1215 CZ ARG A 94 -15.839 -7.984 -8.712 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -14.912 -8.927 -8.591 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -16.738 -8.065 -9.682 1.00 3.67 N ATOM 0 H ARG A 94 -12.252 -4.746 -3.351 1.00 0.82 H new ATOM 0 HA ARG A 94 -13.562 -3.166 -5.263 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -12.944 -5.603 -5.402 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -14.224 -5.963 -4.261 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -15.910 -5.111 -5.855 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -14.643 -4.692 -6.991 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -13.935 -7.081 -7.074 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -15.212 -7.496 -5.948 1.00 1.63 H new ATOM 0 HE ARG A 94 -16.582 -6.245 -7.992 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -14.220 -8.869 -7.844 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -14.892 -9.709 -9.245 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -17.453 -7.344 -9.776 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -16.715 -8.849 -10.335 1.00 3.67 H new ATOM 1231 N LYS A 95 -15.375 -3.987 -2.631 1.00 0.90 N ATOM 1232 CA LYS A 95 -16.604 -3.689 -1.904 1.00 1.02 C ATOM 1233 C LYS A 95 -16.661 -2.204 -1.547 1.00 1.02 C ATOM 1234 O LYS A 95 -17.720 -1.582 -1.612 1.00 1.15 O ATOM 1235 CB LYS A 95 -16.680 -4.551 -0.633 1.00 1.23 C ATOM 1236 CG LYS A 95 -18.097 -4.853 -0.142 1.00 1.55 C ATOM 1237 CD LYS A 95 -18.801 -3.634 0.445 1.00 2.10 C ATOM 1238 CE LYS A 95 -18.084 -3.100 1.676 1.00 2.52 C ATOM 1239 NZ LYS A 95 -18.866 -2.030 2.350 1.00 3.34 N ATOM 0 H LYS A 95 -14.750 -4.634 -2.150 1.00 0.90 H new ATOM 0 HA LYS A 95 -17.458 -3.923 -2.539 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -16.168 -5.495 -0.821 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -16.135 -4.045 0.164 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -18.687 -5.241 -0.972 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -18.054 -5.638 0.613 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -18.858 -2.850 -0.310 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -19.825 -3.898 0.708 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -17.907 -3.916 2.376 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -17.108 -2.710 1.387 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -18.345 -1.692 3.184 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -19.014 -1.240 1.690 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -19.788 -2.409 2.648 1.00 3.34 H new ATOM 1253 N LYS A 96 -15.514 -1.635 -1.196 1.00 0.97 N ATOM 1254 CA LYS A 96 -15.454 -0.230 -0.808 1.00 1.03 C ATOM 1255 C LYS A 96 -15.251 0.674 -2.024 1.00 0.96 C ATOM 1256 O LYS A 96 -14.979 1.866 -1.882 1.00 1.07 O ATOM 1257 CB LYS A 96 -14.339 0.004 0.216 1.00 1.15 C ATOM 1258 CG LYS A 96 -14.475 -0.848 1.470 1.00 1.29 C ATOM 1259 CD LYS A 96 -13.488 -0.431 2.553 1.00 1.68 C ATOM 1260 CE LYS A 96 -12.045 -0.707 2.155 1.00 1.78 C ATOM 1261 NZ LYS A 96 -11.772 -2.161 2.005 1.00 2.17 N ATOM 0 H LYS A 96 -14.617 -2.121 -1.172 1.00 0.97 H new ATOM 0 HA LYS A 96 -16.410 0.025 -0.350 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -13.377 -0.205 -0.252 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -14.333 1.056 0.501 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -15.491 -0.767 1.855 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -14.313 -1.896 1.216 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -13.608 0.632 2.762 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -13.717 -0.965 3.475 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -11.825 -0.199 1.216 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -11.376 -0.289 2.907 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -10.763 -2.305 1.800 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -12.020 -2.654 2.887 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -12.342 -2.542 1.223 1.00 2.17 H new ATOM 1275 N ASN A 97 -15.384 0.087 -3.215 1.00 0.86 N ATOM 1276 CA ASN A 97 -15.305 0.821 -4.482 1.00 0.86 C ATOM 1277 C ASN A 97 -13.955 1.507 -4.653 1.00 0.87 C ATOM 1278 O ASN A 97 -13.879 2.655 -5.096 1.00 1.04 O ATOM 1279 CB ASN A 97 -16.430 1.859 -4.591 1.00 0.97 C ATOM 1280 CG ASN A 97 -17.817 1.241 -4.624 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -17.935 0.047 -5.189 1.00 2.27 O flip ATOM 1282 ND2 ASN A 97 -18.783 1.844 -4.150 1.00 2.33 N flip ATOM 0 H ASN A 97 -15.550 -0.913 -3.330 1.00 0.86 H new ATOM 0 HA ASN A 97 -15.421 0.087 -5.280 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -16.365 2.545 -3.746 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -16.282 2.451 -5.494 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -18.652 2.761 -3.723 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -19.713 1.425 -4.185 1.00 2.33 H new ATOM 1289 N LEU A 98 -12.890 0.800 -4.315 1.00 0.78 N ATOM 1290 CA LEU A 98 -11.545 1.344 -4.436 1.00 0.84 C ATOM 1291 C LEU A 98 -10.743 0.568 -5.472 1.00 0.71 C ATOM 1292 O LEU A 98 -10.547 -0.640 -5.329 1.00 0.65 O ATOM 1293 CB LEU A 98 -10.814 1.288 -3.093 1.00 1.00 C ATOM 1294 CG LEU A 98 -11.376 2.189 -1.990 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -10.584 1.998 -0.708 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -11.355 3.653 -2.417 1.00 2.08 C ATOM 0 H LEU A 98 -12.929 -0.153 -3.954 1.00 0.78 H new ATOM 0 HA LEU A 98 -11.636 2.383 -4.753 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -10.827 0.258 -2.736 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -9.770 1.555 -3.258 1.00 1.00 H new ATOM 0 HG LEU A 98 -12.413 1.907 -1.810 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -10.991 2.643 0.071 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -10.652 0.958 -0.390 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -9.540 2.256 -0.884 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -11.759 4.272 -1.616 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -10.329 3.956 -2.627 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -11.961 3.779 -3.314 1.00 2.08 H new ATOM 1308 N PRO A 99 -10.288 1.237 -6.541 1.00 0.83 N ATOM 1309 CA PRO A 99 -9.385 0.616 -7.499 1.00 0.85 C ATOM 1310 C PRO A 99 -7.982 0.501 -6.918 1.00 0.70 C ATOM 1311 O PRO A 99 -7.353 1.507 -6.588 1.00 0.77 O ATOM 1312 CB PRO A 99 -9.396 1.560 -8.704 1.00 1.15 C ATOM 1313 CG PRO A 99 -9.929 2.869 -8.210 1.00 1.25 C ATOM 1314 CD PRO A 99 -10.618 2.630 -6.887 1.00 1.10 C ATOM 0 HA PRO A 99 -9.692 -0.396 -7.763 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -8.393 1.679 -9.114 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -10.022 1.163 -9.503 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -9.119 3.589 -8.092 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -10.628 3.291 -8.932 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -10.262 3.323 -6.124 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -11.695 2.773 -6.970 1.00 1.10 H new ATOM 1322 N VAL A 100 -7.495 -0.721 -6.790 1.00 0.58 N ATOM 1323 CA VAL A 100 -6.205 -0.952 -6.160 1.00 0.47 C ATOM 1324 C VAL A 100 -5.148 -1.345 -7.178 1.00 0.42 C ATOM 1325 O VAL A 100 -5.391 -2.165 -8.066 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.284 -2.030 -5.057 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -7.054 -1.504 -3.859 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -6.918 -3.312 -5.581 1.00 1.35 C ATOM 0 H VAL A 100 -7.969 -1.565 -7.112 1.00 0.58 H new ATOM 0 HA VAL A 100 -5.918 -0.007 -5.699 1.00 0.47 H new ATOM 0 HB VAL A 100 -5.267 -2.266 -4.743 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -7.101 -2.275 -3.090 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -6.550 -0.624 -3.460 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -8.065 -1.235 -4.166 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -6.959 -4.051 -4.781 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -7.928 -3.101 -5.933 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -6.321 -3.703 -6.405 1.00 1.35 H new ATOM 1338 N ARG A 101 -3.978 -0.743 -7.049 1.00 0.43 N ATOM 1339 CA ARG A 101 -2.859 -1.063 -7.913 1.00 0.43 C ATOM 1340 C ARG A 101 -1.878 -1.949 -7.156 1.00 0.40 C ATOM 1341 O ARG A 101 -1.040 -1.459 -6.400 1.00 0.39 O ATOM 1342 CB ARG A 101 -2.192 0.244 -8.360 1.00 0.49 C ATOM 1343 CG ARG A 101 -1.054 0.083 -9.354 1.00 1.20 C ATOM 1344 CD ARG A 101 -0.578 1.448 -9.831 1.00 1.40 C ATOM 1345 NE ARG A 101 0.554 1.372 -10.753 1.00 2.23 N ATOM 1346 CZ ARG A 101 0.800 2.285 -11.696 1.00 2.89 C ATOM 1347 NH1 ARG A 101 -0.047 3.287 -11.894 1.00 2.96 N ATOM 1348 NH2 ARG A 101 1.887 2.188 -12.446 1.00 3.87 N ATOM 0 H ARG A 101 -3.780 -0.027 -6.350 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.197 -1.604 -8.797 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -2.952 0.888 -8.803 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.812 0.760 -7.478 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -0.229 -0.456 -8.889 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -1.385 -0.513 -10.205 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -1.404 1.963 -10.321 1.00 1.40 H new ATOM 0 HD3 ARG A 101 -0.295 2.050 -8.967 1.00 1.40 H new ATOM 0 HE ARG A 101 1.190 0.579 -10.672 1.00 2.23 H new ATOM 0 HH11 ARG A 101 -0.890 3.362 -11.325 1.00 2.96 H new ATOM 0 HH12 ARG A 101 0.145 3.982 -12.615 1.00 2.96 H new ATOM 0 HH21 ARG A 101 2.537 1.415 -12.304 1.00 3.87 H new ATOM 0 HH22 ARG A 101 2.074 2.886 -13.166 1.00 3.87 H new ATOM 1362 N ILE A 102 -2.002 -3.256 -7.356 1.00 0.43 N ATOM 1363 CA ILE A 102 -1.155 -4.227 -6.676 1.00 0.43 C ATOM 1364 C ILE A 102 0.136 -4.464 -7.438 1.00 0.45 C ATOM 1365 O ILE A 102 0.117 -4.826 -8.616 1.00 0.56 O ATOM 1366 CB ILE A 102 -1.872 -5.589 -6.492 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -3.249 -5.400 -5.842 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -1.015 -6.536 -5.656 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -3.963 -6.699 -5.530 1.00 0.76 C ATOM 0 H ILE A 102 -2.687 -3.669 -7.989 1.00 0.43 H new ATOM 0 HA ILE A 102 -0.932 -3.803 -5.697 1.00 0.43 H new ATOM 0 HB ILE A 102 -2.018 -6.030 -7.478 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -3.130 -4.832 -4.920 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -3.875 -4.803 -6.506 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -1.534 -7.487 -5.537 1.00 0.60 H new ATOM 0 HG22 ILE A 102 -0.062 -6.703 -6.158 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -0.836 -6.095 -4.675 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -4.929 -6.483 -5.073 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -4.116 -7.261 -6.452 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -3.359 -7.290 -4.841 1.00 0.76 H new ATOM 1381 N ARG A 103 1.254 -4.243 -6.771 1.00 0.41 N ATOM 1382 CA ARG A 103 2.552 -4.596 -7.322 1.00 0.50 C ATOM 1383 C ARG A 103 3.313 -5.463 -6.331 1.00 0.43 C ATOM 1384 O ARG A 103 3.517 -5.071 -5.182 1.00 0.53 O ATOM 1385 CB ARG A 103 3.367 -3.345 -7.669 1.00 0.65 C ATOM 1386 CG ARG A 103 2.744 -2.487 -8.763 1.00 1.12 C ATOM 1387 CD ARG A 103 2.547 -3.274 -10.052 1.00 1.27 C ATOM 1388 NE ARG A 103 1.974 -2.453 -11.119 1.00 1.83 N ATOM 1389 CZ ARG A 103 0.710 -2.541 -11.537 1.00 2.44 C ATOM 1390 NH1 ARG A 103 -0.138 -3.381 -10.955 1.00 2.64 N ATOM 1391 NH2 ARG A 103 0.290 -1.779 -12.538 1.00 3.34 N ATOM 0 H ARG A 103 1.290 -3.819 -5.844 1.00 0.41 H new ATOM 0 HA ARG A 103 2.393 -5.156 -8.243 1.00 0.50 H new ATOM 0 HB2 ARG A 103 3.486 -2.740 -6.770 1.00 0.65 H new ATOM 0 HB3 ARG A 103 4.365 -3.649 -7.984 1.00 0.65 H new ATOM 0 HG2 ARG A 103 1.783 -2.102 -8.421 1.00 1.12 H new ATOM 0 HG3 ARG A 103 3.382 -1.625 -8.957 1.00 1.12 H new ATOM 0 HD2 ARG A 103 3.505 -3.676 -10.380 1.00 1.27 H new ATOM 0 HD3 ARG A 103 1.893 -4.125 -9.860 1.00 1.27 H new ATOM 0 HE ARG A 103 2.580 -1.769 -11.573 1.00 1.83 H new ATOM 0 HH11 ARG A 103 0.175 -3.967 -10.181 1.00 2.64 H new ATOM 0 HH12 ARG A 103 -1.102 -3.441 -11.282 1.00 2.64 H new ATOM 0 HH21 ARG A 103 0.933 -1.127 -12.987 1.00 3.34 H new ATOM 0 HH22 ARG A 103 -0.676 -1.845 -12.859 1.00 3.34 H new ATOM 1405 N LYS A 104 3.708 -6.651 -6.766 1.00 0.38 N ATOM 1406 CA LYS A 104 4.436 -7.567 -5.901 1.00 0.39 C ATOM 1407 C LYS A 104 5.933 -7.313 -6.002 1.00 0.37 C ATOM 1408 O LYS A 104 6.557 -7.583 -7.030 1.00 0.46 O ATOM 1409 CB LYS A 104 4.113 -9.028 -6.241 1.00 0.51 C ATOM 1410 CG LYS A 104 2.644 -9.398 -6.053 1.00 0.63 C ATOM 1411 CD LYS A 104 2.410 -10.895 -6.207 1.00 1.06 C ATOM 1412 CE LYS A 104 2.760 -11.387 -7.602 1.00 1.50 C ATOM 1413 NZ LYS A 104 2.566 -12.854 -7.730 1.00 1.91 N ATOM 0 H LYS A 104 3.537 -7.002 -7.709 1.00 0.38 H new ATOM 0 HA LYS A 104 4.118 -7.386 -4.874 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.396 -9.221 -7.276 1.00 0.51 H new ATOM 0 HB3 LYS A 104 4.724 -9.680 -5.616 1.00 0.51 H new ATOM 0 HG2 LYS A 104 2.313 -9.079 -5.065 1.00 0.63 H new ATOM 0 HG3 LYS A 104 2.038 -8.859 -6.781 1.00 0.63 H new ATOM 0 HD2 LYS A 104 3.009 -11.433 -5.472 1.00 1.06 H new ATOM 0 HD3 LYS A 104 1.365 -11.122 -5.994 1.00 1.06 H new ATOM 0 HE2 LYS A 104 2.140 -10.872 -8.336 1.00 1.50 H new ATOM 0 HE3 LYS A 104 3.796 -11.136 -7.828 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 3.015 -13.188 -8.606 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 2.998 -13.334 -6.915 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 1.549 -13.068 -7.759 1.00 1.91 H new ATOM 1427 N VAL A 105 6.496 -6.785 -4.927 1.00 0.35 N ATOM 1428 CA VAL A 105 7.898 -6.403 -4.890 1.00 0.39 C ATOM 1429 C VAL A 105 8.530 -6.814 -3.568 1.00 0.46 C ATOM 1430 O VAL A 105 7.866 -6.850 -2.533 1.00 0.52 O ATOM 1431 CB VAL A 105 8.079 -4.871 -5.063 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.578 -4.410 -6.417 1.00 0.43 C ATOM 1433 CG2 VAL A 105 7.365 -4.111 -3.951 1.00 0.55 C ATOM 0 H VAL A 105 5.994 -6.609 -4.056 1.00 0.35 H new ATOM 0 HA VAL A 105 8.387 -6.917 -5.718 1.00 0.39 H new ATOM 0 HB VAL A 105 9.146 -4.656 -5.002 1.00 0.43 H new ATOM 0 HG11 VAL A 105 7.718 -3.333 -6.509 1.00 0.43 H new ATOM 0 HG12 VAL A 105 8.137 -4.917 -7.204 1.00 0.43 H new ATOM 0 HG13 VAL A 105 6.519 -4.648 -6.513 1.00 0.43 H new ATOM 0 HG21 VAL A 105 7.506 -3.040 -4.094 1.00 0.55 H new ATOM 0 HG22 VAL A 105 6.300 -4.343 -3.977 1.00 0.55 H new ATOM 0 HG23 VAL A 105 7.777 -4.406 -2.986 1.00 0.55 H new ATOM 1443 N THR A 106 9.802 -7.161 -3.606 1.00 0.52 N ATOM 1444 CA THR A 106 10.573 -7.294 -2.389 1.00 0.61 C ATOM 1445 C THR A 106 11.947 -6.681 -2.601 1.00 0.58 C ATOM 1446 O THR A 106 12.877 -7.346 -3.063 1.00 0.67 O ATOM 1447 CB THR A 106 10.704 -8.771 -1.975 1.00 0.80 C ATOM 1448 OG1 THR A 106 9.406 -9.380 -1.966 1.00 1.32 O ATOM 1449 CG2 THR A 106 11.332 -8.895 -0.594 1.00 1.64 C ATOM 0 H THR A 106 10.320 -7.355 -4.463 1.00 0.52 H new ATOM 0 HA THR A 106 10.057 -6.770 -1.585 1.00 0.61 H new ATOM 0 HB THR A 106 11.349 -9.277 -2.694 1.00 0.80 H new ATOM 0 HG1 THR A 106 9.490 -10.332 -2.182 1.00 1.32 H new ATOM 0 HG21 THR A 106 11.414 -9.948 -0.325 1.00 1.64 H new ATOM 0 HG22 THR A 106 12.325 -8.445 -0.604 1.00 1.64 H new ATOM 0 HG23 THR A 106 10.708 -8.381 0.137 1.00 1.64 H new ATOM 1457 N SER A 107 12.056 -5.408 -2.242 1.00 0.50 N ATOM 1458 CA SER A 107 13.270 -4.633 -2.449 1.00 0.51 C ATOM 1459 C SER A 107 13.050 -3.194 -1.986 1.00 0.45 C ATOM 1460 O SER A 107 12.211 -2.481 -2.539 1.00 0.44 O ATOM 1461 CB SER A 107 13.646 -4.652 -3.933 1.00 0.56 C ATOM 1462 OG SER A 107 12.501 -4.414 -4.735 1.00 1.36 O ATOM 0 H SER A 107 11.302 -4.884 -1.798 1.00 0.50 H new ATOM 0 HA SER A 107 14.081 -5.073 -1.869 1.00 0.51 H new ATOM 0 HB2 SER A 107 14.402 -3.893 -4.133 1.00 0.56 H new ATOM 0 HB3 SER A 107 14.085 -5.616 -4.191 1.00 0.56 H new ATOM 0 HG SER A 107 12.727 -4.557 -5.678 1.00 1.36 H new ATOM 1468 N PRO A 108 13.778 -2.758 -0.947 1.00 0.47 N ATOM 1469 CA PRO A 108 13.695 -1.382 -0.444 1.00 0.49 C ATOM 1470 C PRO A 108 13.925 -0.337 -1.532 1.00 0.43 C ATOM 1471 O PRO A 108 13.298 0.717 -1.518 1.00 0.47 O ATOM 1472 CB PRO A 108 14.801 -1.317 0.613 1.00 0.63 C ATOM 1473 CG PRO A 108 14.976 -2.727 1.058 1.00 0.69 C ATOM 1474 CD PRO A 108 14.715 -3.577 -0.154 1.00 0.55 C ATOM 0 HA PRO A 108 12.702 -1.157 -0.054 1.00 0.49 H new ATOM 0 HB2 PRO A 108 15.725 -0.915 0.197 1.00 0.63 H new ATOM 0 HB3 PRO A 108 14.518 -0.671 1.444 1.00 0.63 H new ATOM 0 HG2 PRO A 108 15.982 -2.893 1.442 1.00 0.69 H new ATOM 0 HG3 PRO A 108 14.283 -2.971 1.863 1.00 0.69 H new ATOM 0 HD2 PRO A 108 15.632 -3.785 -0.704 1.00 0.55 H new ATOM 0 HD3 PRO A 108 14.280 -4.539 0.116 1.00 0.55 H new ATOM 1482 N ASP A 109 14.807 -0.638 -2.483 1.00 0.46 N ATOM 1483 CA ASP A 109 15.102 0.297 -3.571 1.00 0.50 C ATOM 1484 C ASP A 109 13.866 0.548 -4.426 1.00 0.41 C ATOM 1485 O ASP A 109 13.496 1.698 -4.673 1.00 0.44 O ATOM 1486 CB ASP A 109 16.245 -0.216 -4.454 1.00 0.64 C ATOM 1487 CG ASP A 109 17.603 -0.085 -3.793 1.00 1.56 C ATOM 1488 OD1 ASP A 109 18.212 0.998 -3.876 1.00 2.22 O ATOM 1489 OD2 ASP A 109 18.070 -1.070 -3.183 1.00 2.37 O ATOM 0 H ASP A 109 15.327 -1.514 -2.524 1.00 0.46 H new ATOM 0 HA ASP A 109 15.412 1.236 -3.113 1.00 0.50 H new ATOM 0 HB2 ASP A 109 16.066 -1.262 -4.701 1.00 0.64 H new ATOM 0 HB3 ASP A 109 16.248 0.337 -5.393 1.00 0.64 H new ATOM 1494 N GLU A 110 13.217 -0.527 -4.857 1.00 0.38 N ATOM 1495 CA GLU A 110 12.041 -0.410 -5.708 1.00 0.38 C ATOM 1496 C GLU A 110 10.855 0.134 -4.919 1.00 0.36 C ATOM 1497 O GLU A 110 10.057 0.906 -5.446 1.00 0.42 O ATOM 1498 CB GLU A 110 11.689 -1.759 -6.339 1.00 0.43 C ATOM 1499 CG GLU A 110 12.797 -2.321 -7.218 1.00 0.68 C ATOM 1500 CD GLU A 110 12.396 -3.602 -7.924 1.00 1.32 C ATOM 1501 OE1 GLU A 110 12.516 -4.686 -7.319 1.00 2.01 O ATOM 1502 OE2 GLU A 110 11.969 -3.529 -9.095 1.00 2.12 O ATOM 0 H GLU A 110 13.484 -1.485 -4.632 1.00 0.38 H new ATOM 0 HA GLU A 110 12.274 0.292 -6.508 1.00 0.38 H new ATOM 0 HB2 GLU A 110 11.464 -2.474 -5.548 1.00 0.43 H new ATOM 0 HB3 GLU A 110 10.783 -1.648 -6.935 1.00 0.43 H new ATOM 0 HG2 GLU A 110 13.078 -1.575 -7.961 1.00 0.68 H new ATOM 0 HG3 GLU A 110 13.679 -2.510 -6.606 1.00 0.68 H new ATOM 1509 N ALA A 111 10.756 -0.260 -3.652 1.00 0.33 N ATOM 1510 CA ALA A 111 9.691 0.221 -2.777 1.00 0.35 C ATOM 1511 C ALA A 111 9.736 1.741 -2.653 1.00 0.34 C ATOM 1512 O ALA A 111 8.711 2.414 -2.754 1.00 0.41 O ATOM 1513 CB ALA A 111 9.797 -0.427 -1.404 1.00 0.38 C ATOM 0 H ALA A 111 11.402 -0.913 -3.208 1.00 0.33 H new ATOM 0 HA ALA A 111 8.735 -0.057 -3.220 1.00 0.35 H new ATOM 0 HB1 ALA A 111 8.996 -0.057 -0.764 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.711 -1.509 -1.505 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.760 -0.179 -0.958 1.00 0.38 H new ATOM 1519 N LYS A 112 10.937 2.274 -2.446 1.00 0.32 N ATOM 1520 CA LYS A 112 11.138 3.716 -2.371 1.00 0.34 C ATOM 1521 C LYS A 112 10.807 4.370 -3.705 1.00 0.37 C ATOM 1522 O LYS A 112 10.216 5.453 -3.755 1.00 0.42 O ATOM 1523 CB LYS A 112 12.588 4.034 -2.002 1.00 0.40 C ATOM 1524 CG LYS A 112 12.998 3.575 -0.612 1.00 0.48 C ATOM 1525 CD LYS A 112 14.494 3.748 -0.393 1.00 0.62 C ATOM 1526 CE LYS A 112 14.918 5.200 -0.536 1.00 1.11 C ATOM 1527 NZ LYS A 112 16.390 5.359 -0.438 1.00 1.51 N ATOM 0 H LYS A 112 11.788 1.725 -2.327 1.00 0.32 H new ATOM 0 HA LYS A 112 10.474 4.110 -1.602 1.00 0.34 H new ATOM 0 HB2 LYS A 112 13.247 3.568 -2.734 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.741 5.111 -2.076 1.00 0.40 H new ATOM 0 HG2 LYS A 112 12.450 4.145 0.138 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.727 2.528 -0.478 1.00 0.48 H new ATOM 0 HD2 LYS A 112 14.761 3.387 0.600 1.00 0.62 H new ATOM 0 HD3 LYS A 112 15.040 3.137 -1.111 1.00 0.62 H new ATOM 0 HE2 LYS A 112 14.574 5.586 -1.496 1.00 1.11 H new ATOM 0 HE3 LYS A 112 14.436 5.797 0.238 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 16.638 6.364 -0.541 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 16.715 5.015 0.488 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 16.849 4.810 -1.193 1.00 1.51 H new ATOM 1541 N ARG A 113 11.192 3.692 -4.779 1.00 0.38 N ATOM 1542 CA ARG A 113 11.018 4.204 -6.130 1.00 0.46 C ATOM 1543 C ARG A 113 9.549 4.440 -6.453 1.00 0.43 C ATOM 1544 O ARG A 113 9.163 5.551 -6.813 1.00 0.50 O ATOM 1545 CB ARG A 113 11.628 3.237 -7.144 1.00 0.57 C ATOM 1546 CG ARG A 113 11.464 3.680 -8.586 1.00 0.77 C ATOM 1547 CD ARG A 113 12.087 2.664 -9.553 1.00 1.01 C ATOM 1548 NE ARG A 113 13.446 2.294 -9.152 1.00 1.68 N ATOM 1549 CZ ARG A 113 14.209 1.427 -9.816 1.00 2.13 C ATOM 1550 NH1 ARG A 113 13.758 0.847 -10.919 1.00 1.97 N ATOM 1551 NH2 ARG A 113 15.429 1.145 -9.376 1.00 2.96 N ATOM 0 H ARG A 113 11.633 2.773 -4.737 1.00 0.38 H new ATOM 0 HA ARG A 113 11.533 5.162 -6.191 1.00 0.46 H new ATOM 0 HB2 ARG A 113 12.690 3.120 -6.928 1.00 0.57 H new ATOM 0 HB3 ARG A 113 11.168 2.257 -7.020 1.00 0.57 H new ATOM 0 HG2 ARG A 113 10.405 3.801 -8.814 1.00 0.77 H new ATOM 0 HG3 ARG A 113 11.933 4.654 -8.726 1.00 0.77 H new ATOM 0 HD2 ARG A 113 11.464 1.771 -9.593 1.00 1.01 H new ATOM 0 HD3 ARG A 113 12.106 3.084 -10.559 1.00 1.01 H new ATOM 0 HE ARG A 113 13.832 2.727 -8.313 1.00 1.68 H new ATOM 0 HH11 ARG A 113 12.823 1.064 -11.263 1.00 1.97 H new ATOM 0 HH12 ARG A 113 14.346 0.184 -11.424 1.00 1.97 H new ATOM 0 HH21 ARG A 113 15.782 1.592 -8.530 1.00 2.96 H new ATOM 0 HH22 ARG A 113 16.014 0.481 -9.884 1.00 2.96 H new ATOM 1565 N TRP A 114 8.734 3.399 -6.308 1.00 0.39 N ATOM 1566 CA TRP A 114 7.317 3.490 -6.646 1.00 0.39 C ATOM 1567 C TRP A 114 6.641 4.626 -5.881 1.00 0.40 C ATOM 1568 O TRP A 114 5.810 5.348 -6.428 1.00 0.46 O ATOM 1569 CB TRP A 114 6.598 2.167 -6.357 1.00 0.38 C ATOM 1570 CG TRP A 114 7.077 1.016 -7.193 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.578 -0.171 -6.742 1.00 0.34 C ATOM 1572 CD2 TRP A 114 7.093 0.939 -8.624 1.00 0.66 C ATOM 1573 NE1 TRP A 114 7.911 -0.977 -7.804 1.00 0.40 N ATOM 1574 CE2 TRP A 114 7.621 -0.320 -8.968 1.00 0.63 C ATOM 1575 CE3 TRP A 114 6.715 1.812 -9.647 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 7.779 -0.724 -10.292 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 6.871 1.408 -10.959 1.00 1.29 C ATOM 1578 CH2 TRP A 114 7.398 0.150 -11.271 1.00 1.25 C ATOM 0 H TRP A 114 9.029 2.486 -5.960 1.00 0.39 H new ATOM 0 HA TRP A 114 7.248 3.700 -7.713 1.00 0.39 H new ATOM 0 HB2 TRP A 114 6.729 1.917 -5.304 1.00 0.38 H new ATOM 0 HB3 TRP A 114 5.529 2.303 -6.522 1.00 0.38 H new ATOM 0 HD1 TRP A 114 7.696 -0.438 -5.702 1.00 0.34 H new ATOM 0 HE1 TRP A 114 8.310 -1.913 -7.735 1.00 0.40 H new ATOM 0 HE3 TRP A 114 6.308 2.785 -9.416 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 8.188 -1.693 -10.536 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 6.581 2.075 -11.758 1.00 1.29 H new ATOM 0 HH2 TRP A 114 7.506 -0.136 -12.307 1.00 1.25 H new ATOM 1589 N ILE A 115 7.028 4.801 -4.627 1.00 0.38 N ATOM 1590 CA ILE A 115 6.422 5.819 -3.779 1.00 0.41 C ATOM 1591 C ILE A 115 6.786 7.229 -4.247 1.00 0.47 C ATOM 1592 O ILE A 115 5.916 8.100 -4.346 1.00 0.55 O ATOM 1593 CB ILE A 115 6.825 5.631 -2.300 1.00 0.40 C ATOM 1594 CG1 ILE A 115 6.270 4.304 -1.778 1.00 0.40 C ATOM 1595 CG2 ILE A 115 6.330 6.796 -1.450 1.00 0.45 C ATOM 1596 CD1 ILE A 115 6.624 4.018 -0.338 1.00 0.44 C ATOM 0 H ILE A 115 7.758 4.252 -4.173 1.00 0.38 H new ATOM 0 HA ILE A 115 5.342 5.699 -3.861 1.00 0.41 H new ATOM 0 HB ILE A 115 7.913 5.610 -2.232 1.00 0.40 H new ATOM 0 HG12 ILE A 115 5.185 4.309 -1.881 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.646 3.493 -2.402 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.626 6.641 -0.412 1.00 0.45 H new ATOM 0 HG22 ILE A 115 6.766 7.725 -1.817 1.00 0.45 H new ATOM 0 HG23 ILE A 115 5.243 6.856 -1.512 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.195 3.061 -0.041 1.00 0.44 H new ATOM 0 HD12 ILE A 115 7.708 3.979 -0.231 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.225 4.808 0.299 1.00 0.44 H new ATOM 1608 N LYS A 116 8.058 7.457 -4.552 1.00 0.50 N ATOM 1609 CA LYS A 116 8.494 8.783 -4.974 1.00 0.60 C ATOM 1610 C LYS A 116 7.964 9.115 -6.370 1.00 0.57 C ATOM 1611 O LYS A 116 7.728 10.279 -6.687 1.00 0.69 O ATOM 1612 CB LYS A 116 10.024 8.921 -4.918 1.00 0.73 C ATOM 1613 CG LYS A 116 10.784 8.077 -5.930 1.00 1.18 C ATOM 1614 CD LYS A 116 12.287 8.250 -5.764 1.00 1.85 C ATOM 1615 CE LYS A 116 13.064 7.533 -6.859 1.00 2.50 C ATOM 1616 NZ LYS A 116 14.534 7.678 -6.680 1.00 3.13 N ATOM 0 H LYS A 116 8.796 6.753 -4.516 1.00 0.50 H new ATOM 0 HA LYS A 116 8.075 9.504 -4.272 1.00 0.60 H new ATOM 0 HB2 LYS A 116 10.285 9.968 -5.072 1.00 0.73 H new ATOM 0 HB3 LYS A 116 10.361 8.652 -3.917 1.00 0.73 H new ATOM 0 HG2 LYS A 116 10.519 7.027 -5.806 1.00 1.18 H new ATOM 0 HG3 LYS A 116 10.491 8.362 -6.940 1.00 1.18 H new ATOM 0 HD2 LYS A 116 12.534 9.311 -5.779 1.00 1.85 H new ATOM 0 HD3 LYS A 116 12.592 7.865 -4.791 1.00 1.85 H new ATOM 0 HE2 LYS A 116 12.801 6.475 -6.858 1.00 2.50 H new ATOM 0 HE3 LYS A 116 12.775 7.933 -7.831 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 15.028 7.176 -7.445 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 14.789 8.686 -6.706 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 14.814 7.273 -5.764 1.00 3.13 H new ATOM 1630 N GLU A 117 7.739 8.089 -7.186 1.00 0.53 N ATOM 1631 CA GLU A 117 7.237 8.295 -8.540 1.00 0.58 C ATOM 1632 C GLU A 117 5.768 8.715 -8.541 1.00 0.57 C ATOM 1633 O GLU A 117 5.319 9.398 -9.457 1.00 0.66 O ATOM 1634 CB GLU A 117 7.416 7.037 -9.393 1.00 0.70 C ATOM 1635 CG GLU A 117 8.867 6.687 -9.678 1.00 1.28 C ATOM 1636 CD GLU A 117 9.003 5.661 -10.782 1.00 1.51 C ATOM 1637 OE1 GLU A 117 9.461 6.028 -11.885 1.00 2.14 O ATOM 1638 OE2 GLU A 117 8.629 4.490 -10.570 1.00 1.93 O ATOM 0 H GLU A 117 7.895 7.113 -6.935 1.00 0.53 H new ATOM 0 HA GLU A 117 7.825 9.103 -8.975 1.00 0.58 H new ATOM 0 HB2 GLU A 117 6.943 6.196 -8.886 1.00 0.70 H new ATOM 0 HB3 GLU A 117 6.893 7.174 -10.339 1.00 0.70 H new ATOM 0 HG2 GLU A 117 9.409 7.591 -9.956 1.00 1.28 H new ATOM 0 HG3 GLU A 117 9.331 6.304 -8.769 1.00 1.28 H new ATOM 1645 N PHE A 118 5.017 8.311 -7.526 1.00 0.56 N ATOM 1646 CA PHE A 118 3.611 8.680 -7.443 1.00 0.66 C ATOM 1647 C PHE A 118 3.436 10.038 -6.786 1.00 0.73 C ATOM 1648 O PHE A 118 2.478 10.755 -7.069 1.00 0.88 O ATOM 1649 CB PHE A 118 2.823 7.630 -6.668 1.00 0.73 C ATOM 1650 CG PHE A 118 2.379 6.463 -7.506 1.00 0.69 C ATOM 1651 CD1 PHE A 118 3.296 5.545 -7.990 1.00 1.33 C ATOM 1652 CD2 PHE A 118 1.038 6.286 -7.804 1.00 1.27 C ATOM 1653 CE1 PHE A 118 2.884 4.472 -8.756 1.00 1.57 C ATOM 1654 CE2 PHE A 118 0.620 5.217 -8.570 1.00 1.56 C ATOM 1655 CZ PHE A 118 1.544 4.308 -9.046 1.00 1.41 C ATOM 0 H PHE A 118 5.353 7.733 -6.756 1.00 0.56 H new ATOM 0 HA PHE A 118 3.227 8.735 -8.462 1.00 0.66 H new ATOM 0 HB2 PHE A 118 3.437 7.262 -5.846 1.00 0.73 H new ATOM 0 HB3 PHE A 118 1.946 8.101 -6.225 1.00 0.73 H new ATOM 0 HD1 PHE A 118 4.345 5.669 -7.766 1.00 1.33 H new ATOM 0 HD2 PHE A 118 0.311 6.993 -7.432 1.00 1.27 H new ATOM 0 HE1 PHE A 118 3.609 3.763 -9.127 1.00 1.57 H new ATOM 0 HE2 PHE A 118 -0.428 5.092 -8.797 1.00 1.56 H new ATOM 0 HZ PHE A 118 1.219 3.470 -9.644 1.00 1.41 H new ATOM 1665 N SER A 119 4.369 10.397 -5.919 1.00 0.69 N ATOM 1666 CA SER A 119 4.259 11.634 -5.163 1.00 0.80 C ATOM 1667 C SER A 119 4.669 12.844 -6.001 1.00 0.79 C ATOM 1668 O SER A 119 4.327 13.978 -5.669 1.00 0.90 O ATOM 1669 CB SER A 119 5.086 11.541 -3.878 1.00 0.93 C ATOM 1670 OG SER A 119 6.299 10.838 -4.094 1.00 1.20 O ATOM 0 H SER A 119 5.208 9.852 -5.722 1.00 0.69 H new ATOM 0 HA SER A 119 3.213 11.776 -4.892 1.00 0.80 H new ATOM 0 HB2 SER A 119 5.305 12.544 -3.511 1.00 0.93 H new ATOM 0 HB3 SER A 119 4.505 11.038 -3.105 1.00 0.93 H new ATOM 0 HG SER A 119 6.134 9.874 -4.031 1.00 1.20 H new ATOM 1676 N GLU A 120 5.383 12.604 -7.096 1.00 0.81 N ATOM 1677 CA GLU A 120 5.776 13.687 -7.993 1.00 0.96 C ATOM 1678 C GLU A 120 4.642 14.022 -8.960 1.00 1.17 C ATOM 1679 O GLU A 120 4.714 15.000 -9.702 1.00 1.50 O ATOM 1680 CB GLU A 120 7.047 13.320 -8.772 1.00 1.08 C ATOM 1681 CG GLU A 120 6.948 12.003 -9.517 1.00 1.41 C ATOM 1682 CD GLU A 120 8.201 11.686 -10.302 1.00 2.00 C ATOM 1683 OE1 GLU A 120 9.235 11.374 -9.677 1.00 2.45 O ATOM 1684 OE2 GLU A 120 8.160 11.750 -11.548 1.00 2.77 O ATOM 0 H GLU A 120 5.700 11.678 -7.383 1.00 0.81 H new ATOM 0 HA GLU A 120 5.988 14.567 -7.385 1.00 0.96 H new ATOM 0 HB2 GLU A 120 7.267 14.115 -9.485 1.00 1.08 H new ATOM 0 HB3 GLU A 120 7.886 13.272 -8.078 1.00 1.08 H new ATOM 0 HG2 GLU A 120 6.756 11.200 -8.805 1.00 1.41 H new ATOM 0 HG3 GLU A 120 6.096 12.037 -10.196 1.00 1.41 H new ATOM 1691 N GLU A 121 3.600 13.204 -8.948 1.00 1.22 N ATOM 1692 CA GLU A 121 2.423 13.457 -9.760 1.00 1.56 C ATOM 1693 C GLU A 121 1.363 14.160 -8.922 1.00 2.02 C ATOM 1694 O GLU A 121 0.537 13.468 -8.296 1.00 2.60 O ATOM 1695 CB GLU A 121 1.873 12.150 -10.337 1.00 1.96 C ATOM 1696 CG GLU A 121 2.773 11.520 -11.388 1.00 2.47 C ATOM 1697 CD GLU A 121 2.223 10.215 -11.926 1.00 3.35 C ATOM 1698 OE1 GLU A 121 3.016 9.287 -12.177 1.00 4.00 O ATOM 1699 OE2 GLU A 121 0.993 10.102 -12.098 1.00 3.84 O ATOM 1700 OXT GLU A 121 1.383 15.405 -8.862 1.00 2.53 O ATOM 0 H GLU A 121 3.547 12.357 -8.382 1.00 1.22 H new ATOM 0 HA GLU A 121 2.701 14.102 -10.594 1.00 1.56 H new ATOM 0 HB2 GLU A 121 1.725 11.439 -9.525 1.00 1.96 H new ATOM 0 HB3 GLU A 121 0.894 12.341 -10.777 1.00 1.96 H new ATOM 0 HG2 GLU A 121 2.906 12.220 -12.213 1.00 2.47 H new ATOM 0 HG3 GLU A 121 3.759 11.344 -10.957 1.00 2.47 H new TER 1707 GLU A 121